tert-butyl 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: 4-[4-[[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylamino]-oxomethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: 4-[4-[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylcarbamoyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester Formula: C31H34N4O7S2 MolecularWeight: 638.75426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H34N4O7S2/c1-31(2,3)42-30(37)34-18-15-23(16-19-34)22-9-11-24(12-10-22)29(36)33-44(40,41)26-13-14-27(28(21-26)35(38)39)32-17-20-43-25-7-5-4-6-8-25/h4-15,21,32H,16-20H2,1-3H3,(H,33,36)