[3-[2-[(phenylmethyl)amino]butyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[2-[(phenylmethyl)amino]butyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[2-(benzylamino)butyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[2-[(phenylmethyl)amino]butyl]phenyl] ester IUPAC Name: [3-[2-(benzylamino)butyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[2-(benzylamino)butyl]phenyl] ester Formula: C24H27NO3S MolecularWeight: 409.54108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NCC3=CC=CC=C3

Isomeric SMILES

CCC(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NCC3=CC=CC=C3

InChI

InChI=1S/C24H27NO3S/c1-3-22(25-18-20-8-5-4-6-9-20)16-21-10-7-11-23(17-21)28-29(26,27)24-14-12-19(2)13-15-24/h4-15,17,22,25H,3,16,18H2,1-2H3