N-[3-chloranyl-4-[[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]methyl]phenyl]-2-oxidanyl-ethanesulfonamide

Systemtic Name: N-[3-chloranyl-4-[[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]methyl]phenyl]-2-oxidanyl-ethanesulfonamide Openeye Name: N-[3-chloro-4-[[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-2-hydroxy-ethanesulfonamide CAS Name: N-[3-chloro-4-[[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]methyl]phenyl]-2-hydroxyethanesulfonamide IUPAC Name: N-[3-chloro-4-[[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-2-hydroxyethanesulfonamide Traditional Name: N-[3-chloro-4-[(1-methyl-5-p-toluoyl-pyrrol-2-yl)methyl]phenyl]-2-hydroxy-ethanesulfonamide Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC3=C(C=C(C=C3)NS(=O)(=O)CCO)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC3=C(C=C(C=C3)NS(=O)(=O)CCO)Cl

InChI

InChI=1S/C22H23ClN2O4S/c1-15-3-5-16(6-4-15)22(27)21-10-9-19(25(21)2)13-17-7-8-18(14-20(17)23)24-30(28,29)12-11-26/h3-10,14,24,26H,11-13H2,1-2H3