ethyl 2-methyl-1,5-diphenyl-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1,5-diphenyl-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)sulfonyl-2-methyl-1,5-diphenyl-pyrrole-3-carboxylate CAS Name: 2-methyl-1,5-diphenyl-4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)sulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate Traditional Name: 4-(4-benzylpiperazino)sulfonyl-2-methyl-1,5-diphenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C31H33N3O4S MolecularWeight: 543.67642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C31H33N3O4S/c1-3-38-31(35)28-24(2)34(27-17-11-6-12-18-27)29(26-15-9-5-10-16-26)30(28)39(36,37)33-21-19-32(20-22-33)23-25-13-7-4-8-14-25/h4-18H,3,19-23H2,1-2H3