methyl (2S)-2-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[3-chloro-4-(4-methyl-1-piperidyl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[3-chloro-4-(4-methyl-1-piperidinyl)anilino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[3-chloro-4-(4-methylpiperidino)phenyl]carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C19H28ClN3O3S MolecularWeight: 413.96192

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC(CCSC)C(=O)OC)Cl

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)N[C@@H](CCSC)C(=O)OC)Cl

InChI

InChI=1S/C19H28ClN3O3S/c1-13-6-9-23(10-7-13)17-5-4-14(12-15(17)20)21-19(25)22-16(8-11-27-3)18(24)26-2/h4-5,12-13,16H,6-11H2,1-3H3,(H2,21,22,25)/t16-/m0/s1