(phenylmethyl) 1-aminocarbonyl-7-(4-methoxyphenyl)sulfonyl-1,2-diazepine-5-carboxylate

Systemtic Name: (phenylmethyl) 1-aminocarbonyl-7-(4-methoxyphenyl)sulfonyl-1,2-diazepine-5-carboxylate Openeye Name: benzyl 1-carbamoyl-7-(4-methoxyphenyl)sulfonyl-diazepine-5-carboxylate CAS Name: 1-carbamoyl-7-(4-methoxyphenyl)sulfonyl-5-diazepinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-carbamoyl-7-(4-methoxyphenyl)sulfonyldiazepine-5-carboxylate Traditional Name: 1-carbamoyl-7-(4-methoxyphenyl)sulfonyl-diazepine-5-carboxylic acid benzyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC=NN2C(=O)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC=NN2C(=O)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O6S/c1-29-17-7-9-18(10-8-17)31(27,28)19-13-16(11-12-23-24(19)21(22)26)20(25)30-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H2,22,26)