2-[4-methyl-5-[2-[(phenylmethyl)sulfonylamino]ethyl]-1H-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-5-[2-[(phenylmethyl)sulfonylamino]ethyl]-1H-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-[2-(benzylsulfonylamino)ethyl]-4-methyl-1H-pyrrol-2-yl]acetic acid CAS Name: 2-[4-methyl-5-[2-[(phenylmethyl)sulfonylamino]ethyl]-1H-pyrrol-2-yl]acetic acid IUPAC Name: 2-[5-[2-(benzylsulfonylamino)ethyl]-4-methyl-1H-pyrrol-2-yl]acetic acid Traditional Name: 2-[5-[2-(benzylsulfonylamino)ethyl]-4-methyl-1H-pyrrol-2-yl]acetic acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1)CC(=O)O)CCNS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1)CC(=O)O)CCNS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O4S/c1-12-9-14(10-16(19)20)18-15(12)7-8-17-23(21,22)11-13-5-3-2-4-6-13/h2-6,9,17-18H,7-8,10-11H2,1H3,(H,19,20)