2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[4-(phenylsulfanylmethyl)phenyl]ethanamide

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[4-(phenylsulfanylmethyl)phenyl]ethanamide Openeye Name: 2-(3-bromo-N-methylsulfonyl-anilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide CAS Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[4-[(phenylthio)methyl]phenyl]acetamide IUPAC Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide Traditional Name: 2-(3-bromo-N-mesyl-anilino)-N-[4-[(phenylthio)methyl]phenyl]acetamide Formula: C22H21BrN2O3S2 MolecularWeight: 505.44774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)CSC2=CC=CC=C2)C3=CC(=CC=C3)Br

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)CSC2=CC=CC=C2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H21BrN2O3S2/c1-30(27,28)25(20-7-5-6-18(23)14-20)15-22(26)24-19-12-10-17(11-13-19)16-29-21-8-3-2-4-9-21/h2-14H,15-16H2,1H3,(H,24,26)