dimethyl (3S,7E)-3-(hydroxymethyl)-4-(4-methylphenyl)sulfonyl-14-oxidanylidene-1-oxa-4-azacyclotetradec-7-ene-10,10-dicarboxylate

Systemtic Name: dimethyl (3S,7E)-3-(hydroxymethyl)-4-(4-methylphenyl)sulfonyl-14-oxidanylidene-1-oxa-4-azacyclotetradec-7-ene-10,10-dicarboxylate Openeye Name: dimethyl (3S,7E)-3-(hydroxymethyl)-14-oxo-4-(p-tolylsulfonyl)-1-oxa-4-azacyclotetradec-7-ene-10,10-dicarboxylate CAS Name: (3S,7E)-3-(hydroxymethyl)-4-(4-methylphenyl)sulfonyl-14-oxo-1-oxa-4-azacyclotetradec-7-ene-10,10-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3S,7E)-3-(hydroxymethyl)-4-(4-methylphenyl)sulfonyl-14-oxo-1-oxa-4-azacyclotetradec-7-ene-10,10-dicarboxylate Traditional Name: (3S,7E)-14-keto-3-methylol-4-tosyl-1-oxa-4-azacyclotetradec-7-ene-10,10-dicarboxylic acid dimethyl ester Formula: C24H33NO9S MolecularWeight: 511.58512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC=CCC(CCCC(=O)OCC2CO)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC/C=C/CC(CCCC(=O)OC[C@@H]2CO)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C24H33NO9S/c1-18-9-11-20(12-10-18)35(30,31)25-15-6-4-5-13-24(22(28)32-2,23(29)33-3)14-7-8-21(27)34-17-19(25)16-26/h4-5,9-12,19,26H,6-8,13-17H2,1-3H3/b5-4+/t19-/m0/s1