1-(4-methoxyphenyl)sulfonyl-7-(phenethylcarbamoylamino)-5,6-dihydro-2H-azepine-7-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-7-(phenethylcarbamoylamino)-5,6-dihydro-2H-azepine-7-carboxylic acid Openeye Name: 1-(4-methoxyphenyl)sulfonyl-7-(phenethylcarbamoylamino)-5,6-dihydro-2H-azepine-7-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-7-[[oxo-(phenethylamino)methyl]amino]-5,6-dihydro-2H-azepine-7-carboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-7-(phenethylcarbamoylamino)-5,6-dihydro-2H-azepine-7-carboxylic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-7-(phenethylcarbamoylamino)-5,6-dihydro-2H-azepine-7-carboxylic acid Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCCC2(C(=O)O)NC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCCC2(C(=O)O)NC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O6S/c1-32-19-10-12-20(13-11-19)33(30,31)26-17-7-3-6-15-23(26,21(27)28)25-22(29)24-16-14-18-8-4-2-5-9-18/h2-5,7-13H,6,14-17H2,1H3,(H,27,28)(H2,24,25,29)