methyl 4-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-3-yl]-2-[(phenylmethylidene)amino]butanoate

Systemtic Name: methyl 4-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-3-yl]-2-[(phenylmethylidene)amino]butanoate Openeye Name: methyl 2-(benzylideneamino)-4-[1-(p-tolylsulfonyl)-2,3-dihydropyrrol-3-yl]butanoate CAS Name: 4-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-3-yl]-2-[(phenylmethylene)amino]butanoic acid methyl ester IUPAC Name: methyl 2-(benzylideneamino)-4-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-3-yl]butanoate Traditional Name: 2-(benzalamino)-4-(1-tosyl-2-pyrrolin-3-yl)butyric acid methyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C=C2)CCC(C(=O)OC)N=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C=C2)CCC(C(=O)OC)N=CC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4S/c1-18-8-11-21(12-9-18)30(27,28)25-15-14-20(17-25)10-13-22(23(26)29-2)24-16-19-6-4-3-5-7-19/h3-9,11-12,14-16,20,22H,10,13,17H2,1-2H3