4-(4,4-dimethylpiperidin-1-yl)-N-[4-[(4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl)amino]-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4,4-dimethylpiperidin-1-yl)-N-[4-[(4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl)amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(4,4-dimethyl-1-piperidyl)-N-[4-[[3-morpholino-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(4,4-dimethyl-1-piperidinyl)-N-[4-[[4-(4-morpholinyl)-1-(phenylthio)butan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4,4-dimethylpiperidin-1-yl)-N-[4-[(4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl)amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(4,4-dimethylpiperidino)-N-[4-[[3-morpholino-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C34H43N5O6S2 MolecularWeight: 681.86512

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCN4CCOCC4)CSC5=CC=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1(CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCN4CCOCC4)CSC5=CC=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C34H43N5O6S2/c1-34(2)15-18-38(19-16-34)28-10-8-26(9-11-28)33(40)36-47(43,44)30-12-13-31(32(24-30)39(41)42)35-27(14-17-37-20-22-45-23-21-37)25-46-29-6-4-3-5-7-29/h3-13,24,27,35H,14-23,25H2,1-2H3,(H,36,40)