propan-2-yl 2,4-dimethyl-5-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(4-besylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O5S/c1-14(2)29-21(26)18-15(3)19(22-16(18)4)20(25)23-10-12-24(13-11-23)30(27,28)17-8-6-5-7-9-17/h5-9,14,22H,10-13H2,1-4H3