N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-sulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-3,5-dimethyl-N-(p-tolyl)isoxazole-4-sulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-3,5-dimethyl-N-(4-methylphenyl)-4-isoxazolesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-3,5-dimethyl-N-(p-tolyl)isoxazole-4-sulfonamide Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C20H27N3O4S/c1-15-8-10-18(11-9-15)23(14-19(24)22-12-6-4-5-7-13-22)28(25,26)20-16(2)21-27-17(20)3/h8-11H,4-7,12-14H2,1-3H3