[4-[[[(2S)-butan-2-yl]-(cyclohexylcarbamoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(cyclohexylcarbamoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[cyclohexylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]-[(cyclohexylamino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(cyclohexylcarbamoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[cyclohexylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C19H30N2O4S MolecularWeight: 382.5175

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2CCCCC2

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2CCCCC2

InChI

InChI=1S/C19H30N2O4S/c1-4-15(2)21(19(22)20-17-8-6-5-7-9-17)14-16-10-12-18(13-11-16)25-26(3,23)24/h10-13,15,17H,4-9,14H2,1-3H3,(H,20,22)/t15-/m0/s1