N-[4-[(6-azanyl-1-phenylsulfanyl-hexan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethylpiperidin-1-yl)benzamide

Systemtic Name: N-[4-[(6-azanyl-1-phenylsulfanyl-hexan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethylpiperidin-1-yl)benzamide Openeye Name: N-[4-[[5-amino-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethyl-1-piperidyl)benzamide CAS Name: N-[4-[[6-amino-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4,4-dimethyl-1-piperidinyl)benzamide IUPAC Name: N-[4-[(6-amino-1-phenylsulfanylhexan-2-yl)amino]-3-nitrophenyl]sulfonyl-4-(4,4-dimethylpiperidin-1-yl)benzamide Traditional Name: N-[4-[[5-amino-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethylpiperidino)benzamide Formula: C32H41N5O5S2 MolecularWeight: 639.82844

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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(CCCCN)CSC4=CC=CC=C4)[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(CCCCN)CSC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C32H41N5O5S2/c1-32(2)17-20-36(21-18-32)26-13-11-24(12-14-26)31(38)35-44(41,42)28-15-16-29(30(22-28)37(39)40)34-25(8-6-7-19-33)23-43-27-9-4-3-5-10-27/h3-5,9-16,22,25,34H,6-8,17-21,23,33H2,1-2H3,(H,35,38)