4-methoxy-N-[[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]methyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]methyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[[(3S)-1-(3-methylsulfanylpropanoyl)-3-piperidyl]methyl]benzenesulfonamide CAS Name: 4-methoxy-N-[[(3S)-1-[3-(methylthio)-1-oxopropyl]-3-piperidinyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]methyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[[(3S)-1-[3-(methylthio)propanoyl]-3-piperidyl]methyl]benzenesulfonamide Formula: C17H26N2O4S2 MolecularWeight: 386.52934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CCSC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC[C@H]2CCCN(C2)C(=O)CCSC

InChI

InChI=1S/C17H26N2O4S2/c1-23-15-5-7-16(8-6-15)25(21,22)18-12-14-4-3-10-19(13-14)17(20)9-11-24-2/h5-8,14,18H,3-4,9-13H2,1-2H3/t14-/m1/s1