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

Systemtic Name: (4-ethanoylphenyl) 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-acetylphenyl) 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylisonipecotic acid (4-acetylphenyl) ester Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C20H23N3O6S/c1-13(24)14-3-5-16(6-4-14)29-20(26)15-7-9-23(10-8-15)30(27,28)17-11-18(19(21)25)22(2)12-17/h3-6,11-12,15H,7-10H2,1-2H3,(H2,21,25)