[3-(2-benzamidobutyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(2-benzamidobutyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(2-benzamidobutyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(2-benzamidobutyl)phenyl] ester IUPAC Name: [3-(2-benzamidobutyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2-benzamidobutyl)phenyl] ester Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H25NO4S/c1-3-21(25-24(26)20-9-5-4-6-10-20)16-19-8-7-11-22(17-19)29-30(27,28)23-14-12-18(2)13-15-23/h4-15,17,21H,3,16H2,1-2H3,(H,25,26)