2-[(3S)-3-[(2-methoxycarbonylphenyl)methylsulfonylamino]-2-oxidanylidene-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[(3S)-3-[(2-methoxycarbonylphenyl)methylsulfonylamino]-2-oxidanylidene-azepan-1-yl]ethanoic acid Openeye Name: 2-[(3S)-3-[(2-methoxycarbonylphenyl)methylsulfonylamino]-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-[(3S)-3-[(2-methoxycarbonylphenyl)methylsulfonylamino]-2-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[(3S)-3-[(2-methoxycarbonylphenyl)methylsulfonylamino]-2-oxoazepan-1-yl]acetic acid Traditional Name: 2-[(3S)-3-[(2-carbomethoxybenzyl)sulfonylamino]-2-keto-azepan-1-yl]acetic acid Formula: C17H22N2O7S MolecularWeight: 398.43078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CS(=O)(=O)NC2CCCCN(C2=O)CC(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1CS(=O)(=O)N[C@H]2CCCCN(C2=O)CC(=O)O

InChI

InChI=1S/C17H22N2O7S/c1-26-17(23)13-7-3-2-6-12(13)11-27(24,25)18-14-8-4-5-9-19(16(14)22)10-15(20)21/h2-3,6-7,14,18H,4-5,8-11H2,1H3,(H,20,21)/t14-/m0/s1