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

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-3-(naphthalen-2-ylsulfonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid Openeye Name: 1-(4-methoxyphenyl)sulfonyl-3-(2-naphthylsulfonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-(2-naphthalenylsulfonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-3-(naphthalen-2-ylsulfonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-3-(2-naphthylsulfonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid Formula: C24H24N2O7S2 MolecularWeight: 516.58656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H24N2O7S2/c1-33-19-10-13-20(14-11-19)35(31,32)26-15-5-4-8-22(23(26)24(27)28)25-34(29,30)21-12-9-17-6-2-3-7-18(17)16-21/h2-7,9-14,16,22-23,25H,8,15H2,1H3,(H,27,28)