[4-[[(2-methoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[(2-methoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[isopropyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[isopropyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-15(2)23(21(24)22-19-8-6-7-9-20(19)27-5)14-17-10-12-18(13-11-17)28-29(25,26)16(3)4/h6-13,15-16H,14H2,1-5H3,(H,22,24)