methyl 2-ethyl-4-methyl-5-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[oxo-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C22H27N3O5S/c1-4-18-19(22(27)30-3)16(2)20(23-18)21(26)24-11-13-25(14-12-24)31(28,29)15-10-17-8-6-5-7-9-17/h5-10,15,23H,4,11-14H2,1-3H3/b15-10+