N-[(E,3S,4R)-1-(4-chlorophenyl)-4-oxidanyl-5-oxidanylidene-5-pyrrol-1-yl-pent-1-en-3-yl]-2-methyl-benzenesulfonamide

Systemtic Name: N-[(E,3S,4R)-1-(4-chlorophenyl)-4-oxidanyl-5-oxidanylidene-5-pyrrol-1-yl-pent-1-en-3-yl]-2-methyl-benzenesulfonamide Openeye Name: N-[(E,1S)-3-(4-chlorophenyl)-1-[(1R)-1-hydroxy-2-oxo-2-pyrrol-1-yl-ethyl]allyl]-2-methyl-benzenesulfonamide CAS Name: N-[(E,3S,4R)-1-(4-chlorophenyl)-4-hydroxy-5-oxo-5-(1-pyrrolyl)pent-1-en-3-yl]-2-methylbenzenesulfonamide IUPAC Name: N-[(E,3S,4R)-1-(4-chlorophenyl)-4-hydroxy-5-oxo-5-pyrrol-1-ylpent-1-en-3-yl]-2-methylbenzenesulfonamide Traditional Name: N-[(E,1S)-3-(4-chlorophenyl)-1-[(1R)-1-hydroxy-2-keto-2-pyrrol-1-yl-ethyl]allyl]-2-methyl-benzenesulfonamide Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(C=CC2=CC=C(C=C2)Cl)C(C(=O)N3C=CC=C3)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N[C@@H](/C=C/C2=CC=C(C=C2)Cl)[C@H](C(=O)N3C=CC=C3)O

InChI

InChI=1S/C22H21ClN2O4S/c1-16-6-2-3-7-20(16)30(28,29)24-19(13-10-17-8-11-18(23)12-9-17)21(26)22(27)25-14-4-5-15-25/h2-15,19,21,24,26H,1H3/b13-10+/t19-,21+/m0/s1