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

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-3-(naphthalen-1-ylsulfonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid Openeye Name: 1-(4-methoxyphenyl)sulfonyl-3-(1-naphthylsulfonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-(1-naphthalenylsulfonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-3-(naphthalen-1-ylsulfonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-3-(1-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=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)O)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

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