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

Systemtic Name: methyl 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C28H28N4O7S2 MolecularWeight: 596.67452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C28H28N4O7S2/c1-39-28(34)31-16-13-21(14-17-31)20-7-9-22(10-8-20)27(33)30-41(37,38)24-11-12-25(26(19-24)32(35)36)29-15-18-40-23-5-3-2-4-6-23/h2-13,19,29H,14-18H2,1H3,(H,30,33)