2-[2-(aminomethyl)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

Systemtic Name: 2-[2-(aminomethyl)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide Openeye Name: 2-[2-(aminomethyl)-4-isobutyl-phenyl]-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide CAS Name: 2-[2-(aminomethyl)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide IUPAC Name: 2-[2-(aminomethyl)-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide Traditional Name: 2-[2-(aminomethyl)-4-isobutyl-phenyl]-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC=C2C3=C(C=C(C=C3)CC(C)C)CN

Isomeric SMILES

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC=C2C3=C(C=C(C=C3)CC(C)C)CN

InChI

InChI=1S/C22H27N3O3S/c1-14(2)11-17-9-10-19(18(12-17)13-23)20-7-5-6-8-21(20)29(26,27)25-22-15(3)16(4)24-28-22/h5-10,12,14,25H,11,13,23H2,1-4H3