N-[2-(aminomethyl)-13-oxidanyl-tridecyl]-4-methyl-N-(4-methylphenyl)sulfonyl-benzenesulfonamide

Systemtic Name: N-[2-(aminomethyl)-13-oxidanyl-tridecyl]-4-methyl-N-(4-methylphenyl)sulfonyl-benzenesulfonamide Openeye Name: N-[2-(aminomethyl)-13-hydroxy-tridecyl]-4-methyl-N-(p-tolylsulfonyl)benzenesulfonamide CAS Name: N-[2-(aminomethyl)-13-hydroxytridecyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide IUPAC Name: N-[2-(aminomethyl)-13-hydroxytridecyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide Traditional Name: N-[2-(aminomethyl)-13-hydroxy-tridecyl]-4-methyl-N-tosyl-benzenesulfonamide Formula: C28H44N2O5S2 MolecularWeight: 552.78936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CCCCCCCCCCCO)CN)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CCCCCCCCCCCO)CN)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C28H44N2O5S2/c1-24-13-17-27(18-14-24)36(32,33)30(37(34,35)28-19-15-25(2)16-20-28)23-26(22-29)12-10-8-6-4-3-5-7-9-11-21-31/h13-20,26,31H,3-12,21-23,29H2,1-2H3