N'-(2-bromophenyl)carbonyl-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carbohydrazide

Systemtic Name: N'-(2-bromophenyl)carbonyl-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carbohydrazide Openeye Name: N'-(2-bromobenzoyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carbohydrazide CAS Name: N'-[(2-bromophenyl)-oxomethyl]-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarbohydrazide IUPAC Name: N'-(2-bromobenzoyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbohydrazide Traditional Name: N'-(2-bromobenzoyl)-1-(3,4-dimethylphenyl)sulfonyl-isonipecotohydrazide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)C3=CC=CC=C3Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)C3=CC=CC=C3Br)C

InChI

InChI=1S/C21H24BrN3O4S/c1-14-7-8-17(13-15(14)2)30(28,29)25-11-9-16(10-12-25)20(26)23-24-21(27)18-5-3-4-6-19(18)22/h3-8,13,16H,9-12H2,1-2H3,(H,23,26)(H,24,27)