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

Systemtic Name: [4-[(4-heptylphenyl)amino]-4-oxidanylidene-butan-2-yl] methanesulfonate Openeye Name: [3-(4-heptylanilino)-1-methyl-3-oxo-propyl] methanesulfonate CAS Name: methanesulfonic acid [4-(4-heptylanilino)-4-oxobutan-2-yl] ester IUPAC Name: [4-(4-heptylanilino)-4-oxobutan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(4-heptylanilino)-3-keto-1-methyl-propyl] ester Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)NC(=O)CC(C)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)NC(=O)CC(C)OS(=O)(=O)C

InChI

InChI=1S/C18H29NO4S/c1-4-5-6-7-8-9-16-10-12-17(13-11-16)19-18(20)14-15(2)23-24(3,21)22/h10-13,15H,4-9,14H2,1-3H3,(H,19,20)