9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl 4-methylbenzenesulfonate

Systemtic Name: 9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl 4-methylbenzenesulfonate Openeye Name: 9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl ester IUPAC Name: 9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl ester Formula: C29H38N2O3S MolecularWeight: 494.68862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCNC2=C3CCCCC3=NC4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCNC2=C3CCCCC3=NC4=CC=CC=C42

InChI

InChI=1S/C29H38N2O3S/c1-23-17-19-24(20-18-23)35(32,33)34-22-12-6-4-2-3-5-11-21-30-29-25-13-7-9-15-27(25)31-28-16-10-8-14-26(28)29/h7,9,13,15,17-20H,2-6,8,10-12,14,16,21-22H2,1H3,(H,30,31)