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

Systemtic Name: [4-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isopropyl-[(4-isopropylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[oxo-(4-propan-2-ylanilino)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isopropyl(p-cumenylcarbamoyl)amino]methyl]phenyl] ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-6-29(26,27)28-21-13-7-18(8-14-21)15-24(17(4)5)22(25)23-20-11-9-19(10-12-20)16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H,23,25)