[4-[[[(2S)-butan-2-yl]-(ethylcarbamoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(ethylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[ethylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2S)-butan-2-yl]-(ethylcarbamoyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(ethylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[ethylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C16H26N2O4S MolecularWeight: 342.45364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O4S/c1-5-13(4)18(16(19)17-6-2)12-14-8-10-15(11-9-14)22-23(20,21)7-3/h8-11,13H,5-7,12H2,1-4H3,(H,17,19)/t13-/m0/s1