[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2,5-dimethyl-1-(m-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolecarboxylic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(m-tolyl)pyrrole-3-carboxylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=C2C)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=C2C)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C)C

InChI

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