[4-[[[(2S)-butan-2-yl]-[(2,4-dimethylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-[(2,4-dimethylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(2,4-dimethylphenyl)carbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2S)-butan-2-yl]-[(2,4-dimethylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-[(2,4-dimethylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(2,4-dimethylphenyl)carbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)NC2=C(C=C(C=C2)C)C

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)NC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C22H30N2O4S/c1-6-18(5)24(22(25)23-21-13-8-16(3)14-17(21)4)15-19-9-11-20(12-10-19)28-29(26,27)7-2/h8-14,18H,6-7,15H2,1-5H3,(H,23,25)/t18-/m0/s1