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

Systemtic Name: 3-azanyl-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Openeye Name: 3-amino-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid CAS Name: 3-amino-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid IUPAC Name: 3-amino-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Traditional Name: 3-amino-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Formula: C14H18N2O5S MolecularWeight: 326.36812

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)N

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5S/c1-21-10-5-7-11(8-6-10)22(19,20)16-9-3-2-4-12(15)13(16)14(17)18/h2-3,5-8,12-13H,4,9,15H2,1H3,(H,17,18)