N-(anthracen-9-ylmethyl)-N-[3-(4-azanylbutylamino)propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-(anthracen-9-ylmethyl)-N-[3-(4-azanylbutylamino)propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(4-aminobutylamino)propyl]-N-(9-anthrylmethyl)-4-methyl-benzenesulfonamide CAS Name: N-[3-(4-aminobutylamino)propyl]-N-(9-anthracenylmethyl)-4-methylbenzenesulfonamide IUPAC Name: N-[3-(4-aminobutylamino)propyl]-N-(anthracen-9-ylmethyl)-4-methylbenzenesulfonamide Traditional Name: N-[3-(4-aminobutylamino)propyl]-N-(9-anthrylmethyl)-4-methyl-benzenesulfonamide Formula: C29H35N3O2S MolecularWeight: 489.6721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O2S/c1-23-13-15-26(16-14-23)35(33,34)32(20-8-19-31-18-7-6-17-30)22-29-27-11-4-2-9-24(27)21-25-10-3-5-12-28(25)29/h2-5,9-16,21,31H,6-8,17-20,22,30H2,1H3