4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-2-(1-methylindol-4-yl)oxy-N-[4-(3-morpholin-4-ylpropylamino)-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-2-(1-methylindol-4-yl)oxy-N-[4-(3-morpholin-4-ylpropylamino)-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-2-(1-methylindol-4-yl)oxy-N-[4-(3-morpholinopropylamino)-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]-1-piperazinyl]-2-[(1-methyl-4-indolyl)oxy]-N-[4-[3-(4-morpholinyl)propylamino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-2-(1-methylindol-4-yl)oxy-N-[4-(3-morpholin-4-ylpropylamino)-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-[4-[2-(4-chlorophenyl)benzyl]piperazino]-2-(1-methylindol-4-yl)oxy-N-[4-(3-morpholinopropylamino)-3-nitro-phenyl]sulfonyl-benzamide Formula: C46H48ClN7O7S MolecularWeight: 878.43402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC=C2OC3=C(C=CC(=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)C(=O)NS(=O)(=O)C7=CC(=C(C=C7)NCCCN8CCOCC8)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC2=C1C=CC=C2OC3=C(C=CC(=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)C(=O)NS(=O)(=O)C7=CC(=C(C=C7)NCCCN8CCOCC8)[N+](=O)[O-]

InChI

InChI=1S/C46H48ClN7O7S/c1-50-21-18-39-42(50)8-4-9-44(39)61-45-30-36(53-24-22-52(23-25-53)32-34-6-2-3-7-38(34)33-10-12-35(47)13-11-33)14-16-40(45)46(55)49-62(58,59)37-15-17-41(43(31-37)54(56)57)48-19-5-20-51-26-28-60-29-27-51/h2-4,6-18,21,30-31,48H,5,19-20,22-29,32H2,1H3,(H,49,55)