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

Systemtic Name: N-[3-chloranyl-4-[1-[5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]phenyl]-2-oxidanyl-ethanesulfonamide Openeye Name: N-[3-chloro-4-[1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]-2-hydroxy-ethanesulfonamide CAS Name: N-[3-chloro-4-[1-[5-[(4-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]ethyl]phenyl]-2-hydroxyethanesulfonamide IUPAC Name: N-[3-chloro-4-[1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]-2-hydroxyethanesulfonamide Traditional Name: N-[3-chloro-4-[1-(5-p-toluoyl-1H-pyrrol-2-yl)ethyl]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(N2)C(C)C3=C(C=C(C=C3)NS(=O)(=O)CCO)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=C(C=C(C=C3)NS(=O)(=O)CCO)Cl

InChI

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