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

Systemtic Name: methyl 2,4-dimethyl-5-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5S/c1-15-18(21(26)29-3)16(2)22-19(15)20(25)23-10-12-24(13-11-23)30(27,28)14-9-17-7-5-4-6-8-17/h4-9,14,22H,10-13H2,1-3H3/b14-9+