propan-2-yl 2,4-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 2,4-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)carbonyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 2,4-dimethyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,4-dimethyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-(4-mesylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C16H25N3O5S MolecularWeight: 371.4518

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O5S/c1-10(2)24-16(21)13-11(3)14(17-12(13)4)15(20)18-6-8-19(9-7-18)25(5,22)23/h10,17H,6-9H2,1-5H3