4-methyl-N-(3-oxidanylpropyl)-N-[4-[(phenylmethyl)amino]butyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-(3-oxidanylpropyl)-N-[4-[(phenylmethyl)amino]butyl]benzenesulfonamide Openeye Name: N-[4-(benzylamino)butyl]-N-(3-hydroxypropyl)-4-methyl-benzenesulfonamide CAS Name: N-(3-hydroxypropyl)-4-methyl-N-[4-[(phenylmethyl)amino]butyl]benzenesulfonamide IUPAC Name: N-[4-(benzylamino)butyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide Traditional Name: N-[4-(benzylamino)butyl]-N-(3-hydroxypropyl)-4-methyl-benzenesulfonamide Formula: C21H30N2O3S MolecularWeight: 390.5395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCNCC2=CC=CC=C2)CCCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCNCC2=CC=CC=C2)CCCO

InChI

InChI=1S/C21H30N2O3S/c1-19-10-12-21(13-11-19)27(25,26)23(16-7-17-24)15-6-5-14-22-18-20-8-3-2-4-9-20/h2-4,8-13,22,24H,5-7,14-18H2,1H3