[azanyl-[2-[azanyl(phenylsulfonyloxycarbonyl)amino]ethyl]carbamoyl] benzenesulfonate

Systemtic Name: [azanyl-[2-[azanyl(phenylsulfonyloxycarbonyl)amino]ethyl]carbamoyl] benzenesulfonate Openeye Name: [amino-[2-[amino(benzenesulfonyloxycarbonyl)amino]ethyl]carbamoyl] benzenesulfonate CAS Name: benzenesulfonic acid [[amino-[2-[amino-[benzenesulfonyloxy(oxo)methyl]amino]ethyl]amino]-oxomethyl] ester IUPAC Name: [amino-[2-[amino(benzenesulfonyloxycarbonyl)amino]ethyl]carbamoyl] benzenesulfonate Traditional Name: benzenesulfonic acid [amino-[2-[amino(besyloxycarbonyl)amino]ethyl]carbamoyl] ester Formula: C16H18N4O8S2 MolecularWeight: 458.46612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC(=O)N(CCN(C(=O)OS(=O)(=O)C2=CC=CC=C2)N)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC(=O)N(CCN(C(=O)OS(=O)(=O)C2=CC=CC=C2)N)N

InChI

InChI=1S/C16H18N4O8S2/c17-19(15(21)27-29(23,24)13-7-3-1-4-8-13)11-12-20(18)16(22)28-30(25,26)14-9-5-2-6-10-14/h1-10H,11-12,17-18H2