4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[3-(2-oxidanylidene-1-azacyclotridec-1-yl)propyl]amino]propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[3-(2-oxidanylidene-1-azacyclotridec-1-yl)propyl]amino]propyl]benzenesulfonamide Openeye Name: 4-methyl-N-[3-[3-(2-oxo-azacyclotridec-1-yl)propyl-(p-tolylsulfonyl)amino]propyl]benzenesulfonamide CAS Name: 4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[3-(2-oxo-azacyclotridec-1-yl)propyl]amino]propyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[3-(2-oxo-azacyclotridec-1-yl)propyl]amino]propyl]benzenesulfonamide Traditional Name: N-[3-[3-(2-keto-azacyclotridec-1-yl)propyl-tosyl-amino]propyl]-4-methyl-benzenesulfonamide Formula: C32H49N3O5S2 MolecularWeight: 619.87856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCN(CCCN2CCCCCCCCCCCC2=O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCN(CCCN2CCCCCCCCCCCC2=O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C32H49N3O5S2/c1-28-15-19-30(20-16-28)41(37,38)33-23-12-26-35(42(39,40)31-21-17-29(2)18-22-31)27-13-25-34-24-11-9-7-5-3-4-6-8-10-14-32(34)36/h15-22,33H,3-14,23-27H2,1-2H3