[5-[[[(2S)-butan-2-yl]-(ethylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[[(2S)-butan-2-yl]-(ethylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[ethylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(2S)-butan-2-yl]-(ethylcarbamoyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2S)-butan-2-yl]-(ethylcarbamoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[ethylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C17H28N2O5S MolecularWeight: 372.47962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)NCC

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O5S/c1-6-13(4)19(17(20)18-7-2)12-14-9-10-15(23-5)16(11-14)24-25(21,22)8-3/h9-11,13H,6-8,12H2,1-5H3,(H,18,20)/t13-/m0/s1