2-[(ethoxycarbonylamino)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(ethoxycarbonylamino)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(ethoxycarbonylamino)-[2-(p-tolylsulfonyloxy)ethyl]amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(ethoxycarbonylamino)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl ester IUPAC Name: 2-[(ethoxycarbonylamino)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(carbethoxyamino)-(2-tosyloxyethyl)amino]ethyl ester Formula: C21H28N2O8S2 MolecularWeight: 500.58562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN(CCOS(=O)(=O)C1=CC=C(C=C1)C)CCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)NN(CCOS(=O)(=O)C1=CC=C(C=C1)C)CCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H28N2O8S2/c1-4-29-21(24)22-23(13-15-30-32(25,26)19-9-5-17(2)6-10-19)14-16-31-33(27,28)20-11-7-18(3)8-12-20/h5-12H,4,13-16H2,1-3H3,(H,22,24)