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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2O3S2/c1-27(24,25)22-12-10-14(11-13-22)19(23)21-16-4-8-18(9-5-16)26-17-6-2-15(20)3-7-17/h2-9,14H,10-13H2,1H3,(H,21,23)