[4-[2-[(phenylmethyl)-propan-2-yl-amino]ethanoyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[2-[(phenylmethyl)-propan-2-yl-amino]ethanoyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[2-[benzyl(isopropyl)amino]acetyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[1-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl]phenyl] ester IUPAC Name: [4-[2-[benzyl(propan-2-yl)amino]acetyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[2-[benzyl(isopropyl)amino]acetyl]phenyl] ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)CN(CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)CN(CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C25H27NO4S/c1-19(2)26(17-21-7-5-4-6-8-21)18-25(27)22-11-13-23(14-12-22)30-31(28,29)24-15-9-20(3)10-16-24/h4-16,19H,17-18H2,1-3H3