(2S)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-[3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2S)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-(3-piperidinosulfonylphenyl)propionamide Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CS[C@@H](C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H29N3O4S2/c1-17-9-11-19(12-10-17)24-22(27)16-31-18(2)23(28)25-20-7-6-8-21(15-20)32(29,30)26-13-4-3-5-14-26/h6-12,15,18H,3-5,13-14,16H2,1-2H3,(H,24,27)(H,25,28)/t18-/m0/s1