[3-[[[(2S)-butan-2-yl]-(4-tert-butylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[[(2S)-butan-2-yl]-(4-tert-butylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-tert-butylbenzoyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2S)-butan-2-yl]-[(4-tert-butylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-tert-butylbenzoyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4S/c1-7-17(2)24(16-18-9-8-10-21(15-18)28-29(6,26)27)22(25)19-11-13-20(14-12-19)23(3,4)5/h8-15,17H,7,16H2,1-6H3/t17-/m0/s1