[3-(1-benzamidoethyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(1-benzamidoethyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(1-benzamidoethyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(1-benzamidoethyl)phenyl] ester IUPAC Name: [3-(1-benzamidoethyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(1-benzamidoethyl)phenyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4S/c1-16-11-13-21(14-12-16)28(25,26)27-20-10-6-9-19(15-20)17(2)23-22(24)18-7-4-3-5-8-18/h3-15,17H,1-2H3,(H,23,24)