N,N-bis[3-[2-hydroxyethyl-(4-methylphenyl)sulfonyl-amino]propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N,N-bis[3-[2-hydroxyethyl-(4-methylphenyl)sulfonyl-amino]propyl]-4-methyl-benzenesulfonamide Openeye Name: N,N-bis[3-[2-hydroxyethyl(p-tolylsulfonyl)amino]propyl]-4-methyl-benzenesulfonamide CAS Name: N,N-bis[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide IUPAC Name: N,N-bis[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide Traditional Name: N,N-bis[3-[2-hydroxyethyl(tosyl)amino]propyl]-4-methyl-benzenesulfonamide Formula: C31H43N3O8S3 MolecularWeight: 681.88342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43N3O8S3/c1-26-6-12-29(13-7-26)43(37,38)32(18-4-20-33(22-24-35)44(39,40)30-14-8-27(2)9-15-30)19-5-21-34(23-25-36)45(41,42)31-16-10-28(3)11-17-31/h6-17,35-36H,4-5,18-25H2,1-3H3