4-methyl-N-[3-[(phenylmethyl)-[3-(sulfanylamino)propyl]amino]propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[3-[(phenylmethyl)-[3-(sulfanylamino)propyl]amino]propyl]benzenesulfonamide Openeye Name: N-[3-[benzyl-[3-(sulfanylamino)propyl]amino]propyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-[3-(mercaptoamino)propyl-(phenylmethyl)amino]propyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-[benzyl-[3-(sulfanylamino)propyl]amino]propyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-[benzyl-[3-(mercaptoamino)propyl]amino]propyl]-4-methyl-benzenesulfonamide Formula: C20H29N3O2S2 MolecularWeight: 407.59316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCN(CCCNS)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCN(CCCNS)CC2=CC=CC=C2

InChI

InChI=1S/C20H29N3O2S2/c1-18-9-11-20(12-10-18)27(24,25)22-14-6-16-23(15-5-13-21-26)17-19-7-3-2-4-8-19/h2-4,7-12,21-22,26H,5-6,13-17H2,1H3