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

Systemtic Name: 3-(methoxycarbonylamino)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Openeye Name: 3-(methoxycarbonylamino)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid CAS Name: 3-(methoxycarbonylamino)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid IUPAC Name: 3-(methoxycarbonylamino)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Traditional Name: 3-(carbomethoxyamino)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Formula: C16H20N2O7S MolecularWeight: 384.4042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)O)NC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)O)NC(=O)OC

InChI

InChI=1S/C16H20N2O7S/c1-24-11-6-8-12(9-7-11)26(22,23)18-10-4-3-5-13(14(18)15(19)20)17-16(21)25-2/h3-4,6-9,13-14H,5,10H2,1-2H3,(H,17,21)(H,19,20)