ethyl 4-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C23H31N3O5S/c1-6-31-23(28)22-17(4)21(18(5)24-22)20(27)14-25-9-11-26(12-10-25)32(29,30)19-8-7-15(2)16(3)13-19/h7-8,13,24H,6,9-12,14H2,1-5H3