[3-[[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[isobutyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[isobutyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C(C)C)C(=O)NC2=CC=CC=C2OC

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C(C)C)C(=O)NC2=CC=CC=C2OC

InChI

InChI=1S/C22H30N2O5S/c1-16(2)14-24(22(25)23-20-11-6-7-12-21(20)28-5)15-18-9-8-10-19(13-18)29-30(26,27)17(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,23,25)