1-[(3-bromophenyl)methylsulfonyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]isonipecotamide Formula: C27H29BrN2O3S2 MolecularWeight: 573.56476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C27H29BrN2O3S2/c1-20-16-21(18-34-25-8-3-2-4-9-25)10-11-26(20)29-27(31)23-12-14-30(15-13-23)35(32,33)19-22-6-5-7-24(28)17-22/h2-11,16-17,23H,12-15,18-19H2,1H3,(H,29,31)