ethyl 4-methyl-1-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-methyl-1-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperidine-4-carboxylate Openeye Name: ethyl 4-methyl-1-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperidine-4-carboxylate CAS Name: 4-methyl-1-[4-[[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylamino]-oxomethyl]phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-1-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperidine-4-carboxylate Traditional Name: 4-methyl-1-[4-[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylcarbamoyl]phenyl]isonipecotic acid ethyl ester Formula: C30H34N4O7S2 MolecularWeight: 626.74356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(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

CCOC(=O)C1(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/C30H34N4O7S2/c1-3-41-29(36)30(2)15-18-33(19-16-30)23-11-9-22(10-12-23)28(35)32-43(39,40)25-13-14-26(27(21-25)34(37)38)31-17-20-42-24-7-5-4-6-8-24/h4-14,21,31H,3,15-20H2,1-2H3,(H,32,35)