[3-[[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl-[(4-isopropylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl-[oxo-(4-propan-2-ylanilino)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl(p-cumenylcarbamoyl)amino]methyl]phenyl] ester Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C23H32N2O4S/c1-6-30(27,28)29-22-9-7-8-19(14-22)16-25(15-17(2)3)23(26)24-21-12-10-20(11-13-21)18(4)5/h7-14,17-18H,6,15-16H2,1-5H3,(H,24,26)