[4-[(4-butylphenyl)amino]-4-oxidanylidene-butan-2-yl] methanesulfonate

Systemtic Name: [4-[(4-butylphenyl)amino]-4-oxidanylidene-butan-2-yl] methanesulfonate Openeye Name: [3-(4-butylanilino)-1-methyl-3-oxo-propyl] methanesulfonate CAS Name: methanesulfonic acid [4-(4-butylanilino)-4-oxobutan-2-yl] ester IUPAC Name: [4-(4-butylanilino)-4-oxobutan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(4-butylanilino)-3-keto-1-methyl-propyl] ester Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CC(C)OS(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CC(C)OS(=O)(=O)C

InChI

InChI=1S/C15H23NO4S/c1-4-5-6-13-7-9-14(10-8-13)16-15(17)11-12(2)20-21(3,18)19/h7-10,12H,4-6,11H2,1-3H3,(H,16,17)