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

Systemtic Name: N-[(4-bromophenyl)methyl]-5-chloranyl-1,3-dimethyl-N-(2-oxidanylideneazepan-3-yl)pyrazole-4-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-5-chloro-1,3-dimethyl-N-(2-oxoazepan-3-yl)pyrazole-4-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-5-chloro-1,3-dimethyl-N-(2-oxo-3-azepanyl)-4-pyrazolesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-5-chloro-1,3-dimethyl-N-(2-oxoazepan-3-yl)pyrazole-4-sulfonamide Traditional Name: N-(4-bromobenzyl)-5-chloro-N-(2-ketoazepan-3-yl)-1,3-dimethyl-pyrazole-4-sulfonamide Formula: C18H22BrClN4O3S MolecularWeight: 489.81428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N(CC2=CC=C(C=C2)Br)C3CCCCNC3=O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N(CC2=CC=C(C=C2)Br)C3CCCCNC3=O)Cl)C

InChI

InChI=1S/C18H22BrClN4O3S/c1-12-16(17(20)23(2)22-12)28(26,27)24(11-13-6-8-14(19)9-7-13)15-5-3-4-10-21-18(15)25/h6-9,15H,3-5,10-11H2,1-2H3,(H,21,25)