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

Systemtic Name: N-[(4-bromophenyl)methyl]-5-methyl-N-[(3R)-2-oxidanylideneazepan-3-yl]-1-phenyl-pyrazole-4-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-5-methyl-N-[(3R)-2-oxoazepan-3-yl]-1-phenyl-pyrazole-4-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-5-methyl-N-[(3R)-2-oxo-3-azepanyl]-1-phenyl-4-pyrazolesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-5-methyl-N-[(3R)-2-oxoazepan-3-yl]-1-phenylpyrazole-4-sulfonamide Traditional Name: N-(4-bromobenzyl)-N-[(3R)-2-ketoazepan-3-yl]-5-methyl-1-phenyl-pyrazole-4-sulfonamide Formula: C23H25BrN4O3S MolecularWeight: 517.4386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)S(=O)(=O)N(CC3=CC=C(C=C3)Br)C4CCCCNC4=O

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)S(=O)(=O)N(CC3=CC=C(C=C3)Br)[C@@H]4CCCCNC4=O

InChI

InChI=1S/C23H25BrN4O3S/c1-17-22(15-26-28(17)20-7-3-2-4-8-20)32(30,31)27(16-18-10-12-19(24)13-11-18)21-9-5-6-14-25-23(21)29/h2-4,7-8,10-13,15,21H,5-6,9,14,16H2,1H3,(H,25,29)/t21-/m1/s1