[3-[4-(3-methylsulfonyloxypropanoylamino)butylamino]-3-oxidanylidene-propyl] methanesulfonate

Systemtic Name: [3-[4-(3-methylsulfonyloxypropanoylamino)butylamino]-3-oxidanylidene-propyl] methanesulfonate Openeye Name: [3-[4-(3-methylsulfonyloxypropanoylamino)butylamino]-3-oxo-propyl] methanesulfonate CAS Name: methanesulfonic acid [3-[4-[(3-methylsulfonyloxy-1-oxopropyl)amino]butylamino]-3-oxopropyl] ester IUPAC Name: [3-[4-(3-methylsulfonyloxypropanoylamino)butylamino]-3-oxopropyl] methanesulfonate Traditional Name: methanesulfonic acid [3-keto-3-[4-(3-methylsulfonyloxypropanoylamino)butylamino]propyl] ester Formula: C12H24N2O8S2 MolecularWeight: 388.45756

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC(=O)NCCCCNC(=O)CCOS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OCCC(=O)NCCCCNC(=O)CCOS(=O)(=O)C

InChI

InChI=1S/C12H24N2O8S2/c1-23(17,18)21-9-5-11(15)13-7-3-4-8-14-12(16)6-10-22-24(2,19)20/h3-10H2,1-2H3,(H,13,15)(H,14,16)