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

Systemtic Name: ethyl 4-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H22ClN3O5S2 MolecularWeight: 459.96738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C

InChI

InChI=1S/C18H22ClN3O5S2/c1-4-27-18(24)16-11(2)15(12(3)20-16)17(23)21-7-9-22(10-8-21)29(25,26)14-6-5-13(19)28-14/h5-6,20H,4,7-10H2,1-3H3