methyl 5-piperidin-1-ylsulfonyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzoate

Systemtic Name: methyl 5-piperidin-1-ylsulfonyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzoate Openeye Name: methyl 5-(1-piperidylsulfonyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]benzoic acid methyl ester IUPAC Name: methyl 5-piperidin-1-ylsulfonyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzoate Traditional Name: 5-piperidinosulfonyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]benzoic acid methyl ester Formula: C18H24N4O4S3 MolecularWeight: 456.60256

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)OC

Isomeric SMILES

CCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)OC

InChI

InChI=1S/C18H24N4O4S3/c1-3-9-19-17-20-21-18(28-17)27-15-8-7-13(12-14(15)16(23)26-2)29(24,25)22-10-5-4-6-11-22/h7-8,12H,3-6,9-11H2,1-2H3,(H,19,20)