[3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-hexoxybenzoate

Systemtic Name: [3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-hexoxybenzoate Openeye Name: [3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C24H34N4O6S2 MolecularWeight: 538.67996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)S(=O)(=O)CCCC)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)S(=O)(=O)CCCC)C

InChI

InChI=1S/C24H34N4O6S2/c1-4-6-8-9-16-33-19-12-10-18(11-13-19)21(29)34-20-14-15-27(3)24(30)28(20)22-25-26-23(35-22)36(31,32)17-7-5-2/h10-13,20H,4-9,14-17H2,1-3H3