2-[2-acetamido-3-(4-chlorophenyl)sulfonyl-4,5-dimethyl-pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[2-acetamido-3-(4-chlorophenyl)sulfonyl-4,5-dimethyl-pyrrol-1-yl]ethanoic acid Openeye Name: 2-[2-acetamido-3-(4-chlorophenyl)sulfonyl-4,5-dimethyl-pyrrol-1-yl]acetic acid CAS Name: 2-[2-acetamido-3-(4-chlorophenyl)sulfonyl-4,5-dimethyl-1-pyrrolyl]acetic acid IUPAC Name: 2-[2-acetamido-3-(4-chlorophenyl)sulfonyl-4,5-dimethylpyrrol-1-yl]acetic acid Traditional Name: 2-[2-acetamido-3-(4-chlorophenyl)sulfonyl-4,5-dimethyl-pyrrol-1-yl]acetic acid Formula: C16H17ClN2O5S MolecularWeight: 384.83458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C)CC(=O)O)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C)CC(=O)O)C

InChI

InChI=1S/C16H17ClN2O5S/c1-9-10(2)19(8-14(21)22)16(18-11(3)20)15(9)25(23,24)13-6-4-12(17)5-7-13/h4-7H,8H2,1-3H3,(H,18,20)(H,21,22)