2-[[6-[(4-methylphenyl)sulfonylamino]-1,3-benzodioxol-5-yl]carbonylamino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[[6-[(4-methylphenyl)sulfonylamino]-1,3-benzodioxol-5-yl]carbonylamino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[[6-(p-tolylsulfonylamino)-1,3-benzodioxole-5-carbonyl]amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[[6-[(4-methylphenyl)sulfonylamino]-1,3-benzodioxol-5-yl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[6-[(4-methylphenyl)sulfonylamino]-1,3-benzodioxole-5-carbonyl]amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[[6-(tosylamino)piperonyloyl]amino]ethyl ester Formula: C24H24N2O8S2 MolecularWeight: 532.58596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)NCCOS(=O)(=O)C4=CC=C(C=C4)C)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)NCCOS(=O)(=O)C4=CC=C(C=C4)C)OCO3

InChI

InChI=1S/C24H24N2O8S2/c1-16-3-7-18(8-4-16)35(28,29)26-21-14-23-22(32-15-33-23)13-20(21)24(27)25-11-12-34-36(30,31)19-9-5-17(2)6-10-19/h3-10,13-14,26H,11-12,15H2,1-2H3,(H,25,27)