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

Systemtic Name: N-[4-[(6-azanyl-1-phenylsulfanyl-hexan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(4-ethyl-4-methyl-piperidin-1-yl)benzamide Openeye Name: N-[4-[[5-amino-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-ethyl-4-methyl-1-piperidyl)benzamide CAS Name: N-[4-[[6-amino-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4-ethyl-4-methyl-1-piperidinyl)benzamide IUPAC Name: N-[4-[(6-amino-1-phenylsulfanylhexan-2-yl)amino]-3-nitrophenyl]sulfonyl-4-(4-ethyl-4-methylpiperidin-1-yl)benzamide Traditional Name: N-[4-[[5-amino-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-ethyl-4-methyl-piperidino)benzamide Formula: C33H43N5O5S2 MolecularWeight: 653.85502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(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

CCC1(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/C33H43N5O5S2/c1-3-33(2)18-21-37(22-19-33)27-14-12-25(13-15-27)32(39)36-45(42,43)29-16-17-30(31(23-29)38(40)41)35-26(9-7-8-20-34)24-44-28-10-5-4-6-11-28/h4-6,10-17,23,26,35H,3,7-9,18-22,24,34H2,1-2H3,(H,36,39)