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

Systemtic Name: N-[4-[[6-(dimethylamino)-1-phenylsulfanyl-hexan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-(4-ethyl-4-oxidanyl-piperidin-1-yl)benzamide Openeye Name: N-[4-[[5-(dimethylamino)-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-ethyl-4-hydroxy-1-piperidyl)benzamide CAS Name: N-[4-[[6-(dimethylamino)-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4-ethyl-4-hydroxy-1-piperidinyl)benzamide IUPAC Name: N-[4-[[6-(dimethylamino)-1-phenylsulfanylhexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4-ethyl-4-hydroxypiperidin-1-yl)benzamide Traditional Name: N-[4-[[5-(dimethylamino)-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-ethyl-4-hydroxy-piperidino)benzamide Formula: C34H45N5O6S2 MolecularWeight: 683.881

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

Isomeric SMILES

CCC1(CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCCCN(C)C)CSC4=CC=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C34H45N5O6S2/c1-4-34(41)19-22-38(23-20-34)28-15-13-26(14-16-28)33(40)36-47(44,45)30-17-18-31(32(24-30)39(42)43)35-27(10-8-9-21-37(2)3)25-46-29-11-6-5-7-12-29/h5-7,11-18,24,27,35,41H,4,8-10,19-23,25H2,1-3H3,(H,36,40)