N-[4-(4-bromophenyl)sulfanylphenyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(4-bromophenyl)sulfanylphenyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-(4-bromophenyl)sulfanylphenyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[4-[(4-bromophenyl)thio]phenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[4-(4-bromophenyl)sulfanylphenyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-[4-[(4-bromophenyl)thio]phenyl]-1-mesyl-nipecotamide Formula: C19H21BrN2O3S2 MolecularWeight: 469.41564

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2O3S2/c1-27(24,25)22-12-2-3-14(13-22)19(23)21-16-6-10-18(11-7-16)26-17-8-4-15(20)5-9-17/h4-11,14H,2-3,12-13H2,1H3,(H,21,23)