6-[(4-methylphenyl)sulfonyl-[1-(phenylmethyl)acridin-9-yl]carbonyl-amino]hexanoic acid

Systemtic Name: 6-[(4-methylphenyl)sulfonyl-[1-(phenylmethyl)acridin-9-yl]carbonyl-amino]hexanoic acid Openeye Name: 6-[(1-benzylacridine-9-carbonyl)-(p-tolylsulfonyl)amino]hexanoic acid CAS Name: 6-[(4-methylphenyl)sulfonyl-[oxo-[1-(phenylmethyl)-9-acridinyl]methyl]amino]hexanoic acid IUPAC Name: 6-[(1-benzylacridine-9-carbonyl)-(4-methylphenyl)sulfonylamino]hexanoic acid Traditional Name: 6-[(1-benzylacridine-9-carbonyl)-tosyl-amino]hexanoic acid Formula: C34H32N2O5S MolecularWeight: 580.69328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCCC(=O)O)C(=O)C2=C3C(=NC4=CC=CC=C42)C=CC=C3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCCC(=O)O)C(=O)C2=C3C(=NC4=CC=CC=C42)C=CC=C3CC5=CC=CC=C5

InChI

InChI=1S/C34H32N2O5S/c1-24-18-20-27(21-19-24)42(40,41)36(22-9-3-6-17-31(37)38)34(39)33-28-14-7-8-15-29(28)35-30-16-10-13-26(32(30)33)23-25-11-4-2-5-12-25/h2,4-5,7-8,10-16,18-21H,3,6,9,17,22-23H2,1H3,(H,37,38)