4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[4-(4-methylpiperazin-1-yl)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[4-(4-methylpiperazin-1-yl)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[3-(4-methylpiperazin-1-yl)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[4-(4-methyl-1-piperazinyl)-1-(phenylthio)butan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[4-(4-methylpiperazin-1-yl)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[3-(4-methylpiperazino)-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C37H48N6O5S2 MolecularWeight: 720.94422

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCC6(CCCC6)CC5)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CCC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCC6(CCCC6)CC5)[N+](=O)[O-]

InChI

InChI=1S/C37H48N6O5S2/c1-40-23-25-41(26-24-40)20-15-30(28-49-32-7-3-2-4-8-32)38-34-14-13-33(27-35(34)43(45)46)50(47,48)39-36(44)29-9-11-31(12-10-29)42-21-18-37(19-22-42)16-5-6-17-37/h2-4,7-14,27,30,38H,5-6,15-26,28H2,1H3,(H,39,44)