[2-[[4-(4-azanyl-4-oxidanylidene-butyl)phenyl]amino]-2-oxidanylidene-ethyl] methanesulfonate

Systemtic Name: [2-[[4-(4-azanyl-4-oxidanylidene-butyl)phenyl]amino]-2-oxidanylidene-ethyl] methanesulfonate Openeye Name: [2-[4-(4-amino-4-oxo-butyl)anilino]-2-oxo-ethyl] methanesulfonate CAS Name: methanesulfonic acid [2-[4-(4-amino-4-oxobutyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-amino-4-oxobutyl)anilino]-2-oxoethyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[4-(4-amino-4-keto-butyl)anilino]-2-keto-ethyl] ester Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC(=O)NC1=CC=C(C=C1)CCCC(=O)N

Isomeric SMILES

CS(=O)(=O)OCC(=O)NC1=CC=C(C=C1)CCCC(=O)N

InChI

InChI=1S/C13H18N2O5S/c1-21(18,19)20-9-13(17)15-11-7-5-10(6-8-11)3-2-4-12(14)16/h5-8H,2-4,9H2,1H3,(H2,14,16)(H,15,17)