[azanyl-[2-[azanyl-(2-methylphenyl)sulfonyloxycarbonyl-amino]ethyl]carbamoyl] 2-methylbenzenesulfonate

Systemtic Name: [azanyl-[2-[azanyl-(2-methylphenyl)sulfonyloxycarbonyl-amino]ethyl]carbamoyl] 2-methylbenzenesulfonate Openeye Name: [amino-[2-[amino(o-tolylsulfonyloxycarbonyl)amino]ethyl]carbamoyl] 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid [[amino-[2-[amino-[(2-methylphenyl)sulfonyloxy-oxomethyl]amino]ethyl]amino]-oxomethyl] ester IUPAC Name: [amino-[2-[amino-(2-methylphenyl)sulfonyloxycarbonylamino]ethyl]carbamoyl] 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid [amino-[2-[amino(o-tolylsulfonyloxycarbonyl)amino]ethyl]carbamoyl] ester Formula: C18H22N4O8S2 MolecularWeight: 486.51928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OC(=O)N(CCN(C(=O)OS(=O)(=O)C2=CC=CC=C2C)N)N

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OC(=O)N(CCN(C(=O)OS(=O)(=O)C2=CC=CC=C2C)N)N

InChI

InChI=1S/C18H22N4O8S2/c1-13-7-3-5-9-15(13)31(25,26)29-17(23)21(19)11-12-22(20)18(24)30-32(27,28)16-10-6-4-8-14(16)2/h3-10H,11-12,19-20H2,1-2H3