N-[2-(4-bromophenyl)sulfanylethyl]-4-(phenylsulfonyl)piperazine-1-carboxamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-4-(phenylsulfonyl)piperazine-1-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-[2-(4-bromophenyl)sulfanylethyl]piperazine-1-carboxamide CAS Name: 4-(benzenesulfonyl)-N-[2-[(4-bromophenyl)thio]ethyl]-1-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-[2-(4-bromophenyl)sulfanylethyl]piperazine-1-carboxamide Traditional Name: 4-besyl-N-[2-[(4-bromophenyl)thio]ethyl]piperazine-1-carboxamide Formula: C19H22BrN3O3S2 MolecularWeight: 484.43028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCCSC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)NCCSC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22BrN3O3S2/c20-16-6-8-17(9-7-16)27-15-10-21-19(24)22-11-13-23(14-12-22)28(25,26)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,21,24)