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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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