N'-(3-azanylpropyl)-1,1,2-tris-(4-methylphenyl)sulfonyl-propane-1,3-diamine

Systemtic Name: N'-(3-azanylpropyl)-1,1,2-tris-(4-methylphenyl)sulfonyl-propane-1,3-diamine Openeye Name: N'-(3-aminopropyl)-1,1,2-tris(p-tolylsulfonyl)propane-1,3-diamine CAS Name: N'-(3-aminopropyl)-1,1,2-tris-(4-methylphenyl)sulfonylpropane-1,3-diamine IUPAC Name: N'-(3-aminopropyl)-1,1,2-tris-(4-methylphenyl)sulfonylpropane-1,3-diamine Traditional Name: 3-aminopropyl-(3-amino-2,3,3-tritosyl-propyl)amine Formula: C27H35N3O6S3 MolecularWeight: 593.7783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNCCCN)C(N)(S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNCCCN)C(N)(S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H35N3O6S3/c1-20-5-11-23(12-6-20)37(31,32)26(19-30-18-4-17-28)27(29,38(33,34)24-13-7-21(2)8-14-24)39(35,36)25-15-9-22(3)10-16-25/h5-16,26,30H,4,17-19,28-29H2,1-3H3