(3S)-1-(4-methoxyphenyl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C18H22N4O4S3 MolecularWeight: 454.58668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NN=C(S3)SCC=C

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=NN=C(S3)SCC=C

InChI

InChI=1S/C18H22N4O4S3/c1-3-11-27-18-21-20-17(28-18)19-16(23)13-5-4-10-22(12-13)29(24,25)15-8-6-14(26-2)7-9-15/h3,6-9,13H,1,4-5,10-12H2,2H3,(H,19,20,23)/t13-/m0/s1