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

Systemtic Name: 6-[(4-bromophenyl)sulfonyl-[1-(phenylmethyl)acridin-9-yl]carbonyl-amino]hexanoic acid Openeye Name: 6-[(1-benzylacridine-9-carbonyl)-(4-bromophenyl)sulfonyl-amino]hexanoic acid CAS Name: 6-[(4-bromophenyl)sulfonyl-[oxo-[1-(phenylmethyl)-9-acridinyl]methyl]amino]hexanoic acid IUPAC Name: 6-[(1-benzylacridine-9-carbonyl)-(4-bromophenyl)sulfonylamino]hexanoic acid Traditional Name: 6-[(1-benzylacridine-9-carbonyl)-brosyl-amino]hexanoic acid Formula: C33H29BrN2O5S MolecularWeight: 645.56276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC3=NC4=CC=CC=C4C(=C32)C(=O)N(CCCCCC(=O)O)S(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC3=NC4=CC=CC=C4C(=C32)C(=O)N(CCCCCC(=O)O)S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C33H29BrN2O5S/c34-25-17-19-26(20-18-25)42(40,41)36(21-8-2-5-16-30(37)38)33(39)32-27-13-6-7-14-28(27)35-29-15-9-12-24(31(29)32)22-23-10-3-1-4-11-23/h1,3-4,6-7,9-15,17-20H,2,5,8,16,21-22H2,(H,37,38)