methyl 1,3-bis[(4-butoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate

Systemtic Name: methyl 1,3-bis[(4-butoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate Openeye Name: methyl 1,3-bis[(4-butoxyphenyl)sulfonyl]-5,5-dimethyl-hexahydropyrimidine-2-carboxylate CAS Name: 1,3-bis[(4-butoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylic acid methyl ester IUPAC Name: methyl 1,3-bis[(4-butoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate Traditional Name: 1,3-bis[(4-butoxyphenyl)sulfonyl]-5,5-dimethyl-hexahydropyrimidine-2-carboxylic acid methyl ester Formula: C28H40N2O8S2 MolecularWeight: 596.7558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CN(C2C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OCCCC)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CN(C2C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OCCCC)(C)C

InChI

InChI=1S/C28H40N2O8S2/c1-6-8-18-37-22-10-14-24(15-11-22)39(32,33)29-20-28(3,4)21-30(26(29)27(31)36-5)40(34,35)25-16-12-23(13-17-25)38-19-9-7-2/h10-17,26H,6-9,18-21H2,1-5H3