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

Systemtic Name: N-[(4-bromophenyl)methyl]-1,2-dimethyl-N-[(3R)-2-oxidanylideneazepan-3-yl]imidazole-4-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-1,2-dimethyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-1,2-dimethyl-N-[(3R)-2-oxo-3-azepanyl]-4-imidazolesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-1,2-dimethyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide Traditional Name: N-(4-bromobenzyl)-N-[(3R)-2-ketoazepan-3-yl]-1,2-dimethyl-imidazole-4-sulfonamide Formula: C18H23BrN4O3S MolecularWeight: 455.36922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1C)S(=O)(=O)N(CC2=CC=C(C=C2)Br)C3CCCCNC3=O

Isomeric SMILES

CC1=NC(=CN1C)S(=O)(=O)N(CC2=CC=C(C=C2)Br)[C@@H]3CCCCNC3=O

InChI

InChI=1S/C18H23BrN4O3S/c1-13-21-17(12-22(13)2)27(25,26)23(11-14-6-8-15(19)9-7-14)16-5-3-4-10-20-18(16)24/h6-9,12,16H,3-5,10-11H2,1-2H3,(H,20,24)/t16-/m1/s1