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

Systemtic Name: ethyl 1-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H26ClN3O5S MolecularWeight: 467.96624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H26ClN3O5S/c1-4-30-21(27)19-13-15(2)25(16(19)3)14-20(26)23-9-11-24(12-10-23)31(28,29)18-7-5-17(22)6-8-18/h5-8,13H,4,9-12,14H2,1-3H3