(phenylmethyl) 5-(4-chlorophenyl)sulfonyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 5-(4-chlorophenyl)sulfonyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 5-(4-chlorophenyl)sulfonyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-(4-chlorophenyl)sulfonyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(4-chlorophenyl)sulfonyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(4-chlorophenyl)sulfonyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C27H23ClN2O6S MolecularWeight: 538.99932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)C)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H23ClN2O6S/c1-17-24(27(31)36-16-19-8-4-3-5-9-19)25(22-10-6-7-11-23(22)30(32)33)26(18(2)29-17)37(34,35)21-14-12-20(28)13-15-21/h3-15,25,29H,16H2,1-2H3