[3-[[[(2S)-butan-2-yl]-[(4-chlorophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[(2S)-butan-2-yl]-[(4-chlorophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-chlorophenyl)carbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2S)-butan-2-yl]-[(4-chloroanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-[(4-chlorophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-chlorophenyl)carbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C20H25ClN2O4S MolecularWeight: 424.9415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O4S/c1-4-15(3)23(20(24)22-18-11-9-17(21)10-12-18)14-16-7-6-8-19(13-16)27-28(25,26)5-2/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)/t15-/m0/s1