1-(4-methoxyphenyl)sulfonyl-3-(phenylmethoxycarbonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-3-(phenylmethoxycarbonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid Openeye Name: 3-(benzyloxycarbonylamino)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-(phenylmethoxycarbonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-3-(phenylmethoxycarbonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid Traditional Name: 3-(benzyloxycarbonylamino)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O7S/c1-30-17-10-12-18(13-11-17)32(28,29)24-14-6-5-9-19(20(24)21(25)26)23-22(27)31-15-16-7-3-2-4-8-16/h2-8,10-13,19-20H,9,14-15H2,1H3,(H,23,27)(H,25,26)