[3-[[4-(3-methylsulfonyloxypropanoylamino)phenyl]amino]-3-oxidanylidene-propyl] methanesulfonate

Systemtic Name: [3-[[4-(3-methylsulfonyloxypropanoylamino)phenyl]amino]-3-oxidanylidene-propyl] methanesulfonate Openeye Name: [3-[4-(3-methylsulfonyloxypropanoylamino)anilino]-3-oxo-propyl] methanesulfonate CAS Name: methanesulfonic acid [3-[4-[(3-methylsulfonyloxy-1-oxopropyl)amino]anilino]-3-oxopropyl] ester IUPAC Name: [3-[4-(3-methylsulfonyloxypropanoylamino)anilino]-3-oxopropyl] methanesulfonate Traditional Name: methanesulfonic acid [3-keto-3-[4-(3-methylsulfonyloxypropanoylamino)anilino]propyl] ester Formula: C14H20N2O8S2 MolecularWeight: 408.4472

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC(=O)NC1=CC=C(C=C1)NC(=O)CCOS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OCCC(=O)NC1=CC=C(C=C1)NC(=O)CCOS(=O)(=O)C

InChI

InChI=1S/C14H20N2O8S2/c1-25(19,20)23-9-7-13(17)15-11-3-5-12(6-4-11)16-14(18)8-10-24-26(2,21)22/h3-6H,7-10H2,1-2H3,(H,15,17)(H,16,18)