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

Systemtic Name: [3-(1-acetamidoethyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(1-acetamidoethyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(1-acetamidoethyl)phenyl] ester IUPAC Name: [3-(1-acetamidoethyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(1-acetamidoethyl)phenyl] ester Formula: C17H19NO4S MolecularWeight: 333.40206

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4S/c1-12-7-9-17(10-8-12)23(20,21)22-16-6-4-5-15(11-16)13(2)18-14(3)19/h4-11,13H,1-3H3,(H,18,19)