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

Systemtic Name: methyl 2,4-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H21N3O5S MolecularWeight: 343.39864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O5S/c1-9-11(14(19)22-3)10(2)15-12(9)13(18)16-5-7-17(8-6-16)23(4,20)21/h15H,5-8H2,1-4H3