N-[6-[1-[4-methyl-5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]pyridin-3-yl]-2-oxidanyl-ethanesulfonamide

Systemtic Name: N-[6-[1-[4-methyl-5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]pyridin-3-yl]-2-oxidanyl-ethanesulfonamide Openeye Name: 2-hydroxy-N-[6-[1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]-3-pyridyl]ethanesulfonamide CAS Name: 2-hydroxy-N-[6-[1-[4-methyl-5-[(4-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]ethyl]-3-pyridinyl]ethanesulfonamide IUPAC Name: 2-hydroxy-N-[6-[1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]pyridin-3-yl]ethanesulfonamide Traditional Name: 2-hydroxy-N-[6-[1-(4-methyl-5-p-toluoyl-1H-pyrrol-2-yl)ethyl]-3-pyridyl]ethanesulfonamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-14-4-6-17(7-5-14)22(27)21-15(2)12-20(24-21)16(3)19-9-8-18(13-23-19)25-30(28,29)11-10-26/h4-9,12-13,16,24-26H,10-11H2,1-3H3