3-methyl-N-[3-[3-[(3-methylphenyl)sulfonyl-(phenylmethyl)amino]propylamino]propyl]benzenesulfonamide

Systemtic Name: 3-methyl-N-[3-[3-[(3-methylphenyl)sulfonyl-(phenylmethyl)amino]propylamino]propyl]benzenesulfonamide Openeye Name: N-[3-[3-[benzyl(m-tolylsulfonyl)amino]propylamino]propyl]-3-methyl-benzenesulfonamide CAS Name: 3-methyl-N-[3-[3-[(3-methylphenyl)sulfonyl-(phenylmethyl)amino]propylamino]propyl]benzenesulfonamide IUPAC Name: N-[3-[3-[benzyl-(3-methylphenyl)sulfonylamino]propylamino]propyl]-3-methylbenzenesulfonamide Traditional Name: N-[3-[3-[benzyl(m-tolylsulfonyl)amino]propylamino]propyl]-3-methyl-benzenesulfonamide Formula: C27H35N3O4S2 MolecularWeight: 529.7145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NCCCNCCCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NCCCNCCCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C

InChI

InChI=1S/C27H35N3O4S2/c1-23-10-6-14-26(20-23)35(31,32)29-18-8-16-28-17-9-19-30(22-25-12-4-3-5-13-25)36(33,34)27-15-7-11-24(2)21-27/h3-7,10-15,20-21,28-29H,8-9,16-19,22H2,1-2H3