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

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

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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=CC=C(C=C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O4S/c1-6-18(5)25(23(26)24-21-12-10-20(11-13-21)17(3)4)16-19-8-14-22(15-9-19)29-30(27,28)7-2/h8-15,17-18H,6-7,16H2,1-5H3,(H,24,26)