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

Systemtic Name: [4-[[[(2S)-butan-2-yl]-thiophen-2-ylcarbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[[(1S)-1-methylpropyl]-(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2S)-butan-2-yl]-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[[(1S)-1-methylpropyl]-(2-thenoyl)amino]methyl]phenyl] ester Formula: C18H23NO4S2 MolecularWeight: 381.50952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)C2=CC=CS2

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)C2=CC=CS2

InChI

InChI=1S/C18H23NO4S2/c1-4-14(3)19(18(20)17-7-6-12-24-17)13-15-8-10-16(11-9-15)23-25(21,22)5-2/h6-12,14H,4-5,13H2,1-3H3/t14-/m0/s1