2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H27N3O4S2/c1-17-7-5-8-18(13-17)23-21(26)15-30-16-22(27)24-19-9-6-10-20(14-19)31(28,29)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12,15-16H2,1H3,(H,23,26)(H,24,27)