2-[3-(4-methylphenyl)carbonylphenyl]-3-(1H-pyrrol-2-yl)butane-2-sulfonamide

Systemtic Name: 2-[3-(4-methylphenyl)carbonylphenyl]-3-(1H-pyrrol-2-yl)butane-2-sulfonamide Openeye Name: 2-[3-(4-methylbenzoyl)phenyl]-3-(1H-pyrrol-2-yl)butane-2-sulfonamide CAS Name: 2-[3-[(4-methylphenyl)-oxomethyl]phenyl]-3-(1H-pyrrol-2-yl)-2-butanesulfonamide IUPAC Name: 2-[3-(4-methylbenzoyl)phenyl]-3-(1H-pyrrol-2-yl)butane-2-sulfonamide Traditional Name: 2-(3-p-toluoylphenyl)-3-(1H-pyrrol-2-yl)butane-2-sulfonamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(C)(C(C)C3=CC=CN3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(C)(C(C)C3=CC=CN3)S(=O)(=O)N

InChI

InChI=1S/C22H24N2O3S/c1-15-9-11-17(12-10-15)21(25)18-6-4-7-19(14-18)22(3,28(23,26)27)16(2)20-8-5-13-24-20/h4-14,16,24H,1-3H3,(H2,23,26,27)