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

Systemtic Name: N-[(4-bromophenyl)methyl]-5-methyl-N-(2-oxidanylideneazepan-3-yl)-1,2-thiazole-4-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-5-methyl-N-(2-oxoazepan-3-yl)isothiazole-4-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-5-methyl-N-(2-oxo-3-azepanyl)-4-isothiazolesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-5-methyl-N-(2-oxoazepan-3-yl)-1,2-thiazole-4-sulfonamide Traditional Name: N-(4-bromobenzyl)-N-(2-ketoazepan-3-yl)-5-methyl-isothiazole-4-sulfonamide Formula: C17H20BrN3O3S2 MolecularWeight: 458.393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NS1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)C3CCCCNC3=O

Isomeric SMILES

CC1=C(C=NS1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)C3CCCCNC3=O

InChI

InChI=1S/C17H20BrN3O3S2/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)