N-[(4-bromophenyl)methyl]-3,5-dimethyl-N-[(3R)-2-oxidanylideneazepan-3-yl]-1,2-oxazole-4-sulfonamide

Systemtic Name: N-[(4-bromophenyl)methyl]-3,5-dimethyl-N-[(3R)-2-oxidanylideneazepan-3-yl]-1,2-oxazole-4-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-3,5-dimethyl-N-[(3R)-2-oxoazepan-3-yl]isoxazole-4-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-3,5-dimethyl-N-[(3R)-2-oxo-3-azepanyl]-4-isoxazolesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-3,5-dimethyl-N-[(3R)-2-oxoazepan-3-yl]-1,2-oxazole-4-sulfonamide Traditional Name: N-(4-bromobenzyl)-N-[(3R)-2-ketoazepan-3-yl]-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C18H22BrN3O4S MolecularWeight: 456.35398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N(CC2=CC=C(C=C2)Br)C3CCCCNC3=O

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N(CC2=CC=C(C=C2)Br)[C@@H]3CCCCNC3=O

InChI

InChI=1S/C18H22BrN3O4S/c1-12-17(13(2)26-21-12)27(24,25)22(11-14-6-8-15(19)9-7-14)16-5-3-4-10-20-18(16)23/h6-9,16H,3-5,10-11H2,1-2H3,(H,20,23)/t16-/m1/s1