N-(anthracen-9-ylmethyl)-N-[5-(4-azanylbutylamino)pentyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-(anthracen-9-ylmethyl)-N-[5-(4-azanylbutylamino)pentyl]-4-methyl-benzenesulfonamide Openeye Name: N-[5-(4-aminobutylamino)pentyl]-N-(9-anthrylmethyl)-4-methyl-benzenesulfonamide CAS Name: N-[5-(4-aminobutylamino)pentyl]-N-(9-anthracenylmethyl)-4-methylbenzenesulfonamide IUPAC Name: N-[5-(4-aminobutylamino)pentyl]-N-(anthracen-9-ylmethyl)-4-methylbenzenesulfonamide Traditional Name: N-[5-(4-aminobutylamino)pentyl]-N-(9-anthrylmethyl)-4-methyl-benzenesulfonamide Formula: C31H39N3O2S MolecularWeight: 517.72526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H39N3O2S/c1-25-15-17-28(18-16-25)37(35,36)34(22-10-2-8-20-33-21-9-7-19-32)24-31-29-13-5-3-11-26(29)23-27-12-4-6-14-30(27)31/h3-6,11-18,23,33H,2,7-10,19-22,24,32H2,1H3