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

Systemtic Name: N-[(4-bromophenyl)methyl]-5-methyl-N-[(3R)-2-oxidanylideneazepan-3-yl]-1,2-oxazole-4-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-5-methyl-N-[(3R)-2-oxoazepan-3-yl]isoxazole-4-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-5-methyl-N-[(3R)-2-oxo-3-azepanyl]-4-isoxazolesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-5-methyl-N-[(3R)-2-oxoazepan-3-yl]-1,2-oxazole-4-sulfonamide Traditional Name: N-(4-bromobenzyl)-N-[(3R)-2-ketoazepan-3-yl]-5-methyl-isoxazole-4-sulfonamide Formula: C17H20BrN3O4S MolecularWeight: 442.3274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O4S/c1-12-16(10-20-25-12)26(23,24)21(11-13-5-7-14(18)8-6-13)15-4-2-3-9-19-17(15)22/h5-8,10,15H,2-4,9,11H2,1H3,(H,19,22)/t15-/m1/s1