(2-methylphenyl) 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-methylphenyl) 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carboxylate Openeye Name: o-tolyl 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxylic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylisonipecotic acid o-tolyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC1=CC=CC=C1OC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C19H23N3O5S/c1-13-5-3-4-6-17(13)27-19(24)14-7-9-22(10-8-14)28(25,26)15-11-16(18(20)23)21(2)12-15/h3-6,11-12,14H,7-10H2,1-2H3,(H2,20,23)