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

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-3-(methylcarbamoylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid Openeye Name: 1-(4-methoxyphenyl)sulfonyl-3-(methylcarbamoylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-(methylcarbamoylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-3-(methylcarbamoylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-3-(methylcarbamoylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1CC=CCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CNC(=O)NC1CC=CCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H21N3O6S/c1-17-16(22)18-13-5-3-4-10-19(14(13)15(20)21)26(23,24)12-8-6-11(25-2)7-9-12/h3-4,6-9,13-14H,5,10H2,1-2H3,(H,20,21)(H2,17,18,22)