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

Systemtic Name: methyl 2,4-dimethyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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)C3=CC=CS3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H21N3O5S2/c1-11-14(17(22)25-3)12(2)18-15(11)16(21)19-6-8-20(9-7-19)27(23,24)13-5-4-10-26-13/h4-5,10,18H,6-9H2,1-3H3