5-[(4-methylphenyl)sulfonyl-[1-(phenylmethyl)acridin-9-yl]carbonyl-amino]pentanoic acid

Systemtic Name: 5-[(4-methylphenyl)sulfonyl-[1-(phenylmethyl)acridin-9-yl]carbonyl-amino]pentanoic acid Openeye Name: 5-[(1-benzylacridine-9-carbonyl)-(p-tolylsulfonyl)amino]pentanoic acid CAS Name: 5-[(4-methylphenyl)sulfonyl-[oxo-[1-(phenylmethyl)-9-acridinyl]methyl]amino]pentanoic acid IUPAC Name: 5-[(1-benzylacridine-9-carbonyl)-(4-methylphenyl)sulfonylamino]pentanoic acid Traditional Name: 5-[(1-benzylacridine-9-carbonyl)-tosyl-amino]valeric acid Formula: C33H30N2O5S MolecularWeight: 566.6667

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H30N2O5S/c1-23-17-19-26(20-18-23)41(39,40)35(21-8-7-16-30(36)37)33(38)32-27-13-5-6-14-28(27)34-29-15-9-12-25(31(29)32)22-24-10-3-2-4-11-24/h2-6,9-15,17-20H,7-8,16,21-22H2,1H3,(H,36,37)