4-(4-ethyl-4-methyl-piperidin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-ethyl-4-methyl-piperidin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(4-ethyl-4-methyl-1-piperidyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(4-ethyl-4-methyl-1-piperidinyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(4-ethyl-4-methylpiperidin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(4-ethyl-4-methyl-piperidino)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C29H34N4O5S2 MolecularWeight: 582.73406

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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)NCCSC4=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)NCCSC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C29H34N4O5S2/c1-3-29(2)15-18-32(19-16-29)23-11-9-22(10-12-23)28(34)31-40(37,38)25-13-14-26(27(21-25)33(35)36)30-17-20-39-24-7-5-4-6-8-24/h4-14,21,30H,3,15-20H2,1-2H3,(H,31,34)