N-(2-bromophenyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(2-bromophenyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(2-bromophenyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(2-bromophenyl)-4-(3,4-dimethylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(2-bromophenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(2-bromophenyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carboxamide Formula: C19H22BrN3O3S MolecularWeight: 452.36528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3Br)C

InChI

InChI=1S/C19H22BrN3O3S/c1-14-7-8-16(13-15(14)2)27(25,26)23-11-9-22(10-12-23)19(24)21-18-6-4-3-5-17(18)20/h3-8,13H,9-12H2,1-2H3,(H,21,24)