N-(3-bromophenyl)-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: N-(3-bromophenyl)-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: 1,4-bis(benzenesulfonyl)-N-(3-bromophenyl)piperazine-2-carboxamide CAS Name: 1,4-bis(benzenesulfonyl)-N-(3-bromophenyl)-2-piperazinecarboxamide IUPAC Name: 1,4-bis(benzenesulfonyl)-N-(3-bromophenyl)piperazine-2-carboxamide Traditional Name: 1,4-dibesyl-N-(3-bromophenyl)piperazine-2-carboxamide Formula: C23H22BrN3O5S2 MolecularWeight: 564.47188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(CN1S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22BrN3O5S2/c24-18-8-7-9-19(16-18)25-23(28)22-17-26(33(29,30)20-10-3-1-4-11-20)14-15-27(22)34(31,32)21-12-5-2-6-13-21/h1-13,16,22H,14-15,17H2,(H,25,28)