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

Systemtic Name: [4-[[(2-chlorophenyl)carbonyl-cyclopropyl-amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[(2-chlorobenzoyl)-cyclopropyl-amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[(2-chlorobenzoyl)-cyclopropylamino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[(2-chlorobenzoyl)-cyclopropyl-amino]methyl]phenyl] ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClNO4S/c1-14(2)27(24,25)26-17-11-7-15(8-12-17)13-22(16-9-10-16)20(23)18-5-3-4-6-19(18)21/h3-8,11-12,14,16H,9-10,13H2,1-2H3