2-[[5-(azepan-1-ylcarbonyl)-1H-pyrrol-3-yl]sulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[5-(azepan-1-ylcarbonyl)-1H-pyrrol-3-yl]sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl-methyl-amino]acetic acid CAS Name: 2-[[5-[1-azepanyl(oxo)methyl]-1H-pyrrol-3-yl]sulfonyl-methylamino]acetic acid IUPAC Name: 2-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl-methylamino]acetic acid Traditional Name: 2-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl-methyl-amino]acetic acid Formula: C14H21N3O5S MolecularWeight: 343.39864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)S(=O)(=O)C1=CNC(=C1)C(=O)N2CCCCCC2

Isomeric SMILES

CN(CC(=O)O)S(=O)(=O)C1=CNC(=C1)C(=O)N2CCCCCC2

InChI

InChI=1S/C14H21N3O5S/c1-16(10-13(18)19)23(21,22)11-8-12(15-9-11)14(20)17-6-4-2-3-5-7-17/h8-9,15H,2-7,10H2,1H3,(H,18,19)