N-(anthracen-9-ylmethyl)-N-[2-(4-azanylbutylamino)ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-(anthracen-9-ylmethyl)-N-[2-(4-azanylbutylamino)ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-(4-aminobutylamino)ethyl]-N-(9-anthrylmethyl)-4-methyl-benzenesulfonamide CAS Name: N-[2-(4-aminobutylamino)ethyl]-N-(9-anthracenylmethyl)-4-methylbenzenesulfonamide IUPAC Name: N-[2-(4-aminobutylamino)ethyl]-N-(anthracen-9-ylmethyl)-4-methylbenzenesulfonamide Traditional Name: N-[2-(4-aminobutylamino)ethyl]-N-(9-anthrylmethyl)-4-methyl-benzenesulfonamide Formula: C28H33N3O2S MolecularWeight: 475.64552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCNCCCCN)CC2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCNCCCCN)CC2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C28H33N3O2S/c1-22-12-14-25(15-13-22)34(32,33)31(19-18-30-17-7-6-16-29)21-28-26-10-4-2-8-23(26)20-24-9-3-5-11-27(24)28/h2-5,8-15,20,30H,6-7,16-19,21,29H2,1H3