[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H28N2O5S/c1-16-14-20(17(2)25(16)18-11-12-18)22(26)15-30-23(27)21-10-6-7-13-24(21)31(28,29)19-8-4-3-5-9-19/h3-5,8-9,14,18,21H,6-7,10-13,15H2,1-2H3