[4-[[(2-chlorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[(2-chlorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[(2-chlorobenzoyl)-isopropyl-amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[(2-chlorobenzoyl)-propan-2-ylamino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[(2-chlorobenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C20H24ClNO4S MolecularWeight: 409.92686

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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)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H24ClNO4S/c1-14(2)22(20(23)18-7-5-6-8-19(18)21)13-16-9-11-17(12-10-16)26-27(24,25)15(3)4/h5-12,14-15H,13H2,1-4H3