2-[(diphenylmethyl)oxycarbamoyl]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-3-carboxylic acid

Systemtic Name: 2-[(diphenylmethyl)oxycarbamoyl]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-3-carboxylic acid Openeye Name: 2-(benzhydryloxycarbamoyl)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-3-carboxylic acid CAS Name: 2-[[(diphenylmethyl)oxyamino]-oxomethyl]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-3-carboxylic acid IUPAC Name: 2-(benzhydryloxycarbamoyl)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-3-carboxylic acid Traditional Name: 2-(benzhydryloxycarbamoyl)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-3-carboxylic acid Formula: C28H28N2O7S MolecularWeight: 536.59612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)NOC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)NOC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H28N2O7S/c1-36-22-15-17-23(18-16-22)38(34,35)30-19-9-8-14-24(28(32)33)25(30)27(31)29-37-26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-13,15-18,24-26H,14,19H2,1H3,(H,29,31)(H,32,33)