4-methylbenzenesulfonic acid; N-[2-(4-phenylbutan-2-ylamino)ethyl]benzamide

Systemtic Name: 4-methylbenzenesulfonic acid; N-[2-(4-phenylbutan-2-ylamino)ethyl]benzamide Openeye Name: 4-methylbenzenesulfonic acid; N-[2-[(1-methyl-3-phenyl-propyl)amino]ethyl]benzamide CAS Name: 4-methylbenzenesulfonic acid; N-[2-(4-phenylbutan-2-ylamino)ethyl]benzamide IUPAC Name: 4-methylbenzenesulfonic acid; N-[2-(4-phenylbutan-2-ylamino)ethyl]benzamide Traditional Name: N-[2-[(1-methyl-3-phenyl-propyl)amino]ethyl]benzamide; tosylic acid Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(CCC1=CC=CC=C1)NCCNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(CCC1=CC=CC=C1)NCCNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H24N2O.C7H8O3S/c1-16(12-13-17-8-4-2-5-9-17)20-14-15-21-19(22)18-10-6-3-7-11-18;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,16,20H,12-15H2,1H3,(H,21,22);2-5H,1H3,(H,8,9,10)