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

Systemtic Name: [4-[[cyclopropyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[cyclopropyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[cyclopropyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[cyclopropyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C21H26N2O5S/c1-15(2)29(25,26)28-18-12-8-16(9-13-18)14-23(17-10-11-17)21(24)22-19-6-4-5-7-20(19)27-3/h4-9,12-13,15,17H,10-11,14H2,1-3H3,(H,22,24)