6-[(10-methylacridin-10-ium-9-yl)carbonyl-(4-nitrophenyl)sulfonyl-amino]hexanoic acid

Systemtic Name: 6-[(10-methylacridin-10-ium-9-yl)carbonyl-(4-nitrophenyl)sulfonyl-amino]hexanoic acid Openeye Name: 6-[(10-methylacridin-10-ium-9-carbonyl)-(4-nitrophenyl)sulfonyl-amino]hexanoic acid CAS Name: 6-[[(10-methyl-9-acridin-10-iumyl)-oxomethyl]-(4-nitrophenyl)sulfonylamino]hexanoic acid IUPAC Name: 6-[(10-methylacridin-10-ium-9-carbonyl)-(4-nitrophenyl)sulfonylamino]hexanoic acid Traditional Name: 6-[(10-methylacridin-10-ium-9-carbonyl)-nosyl-amino]hexanoic acid Formula: C27H26N3O7S+ MolecularWeight: 536.57624

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)N(CCCCCC(=O)O)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)N(CCCCCC(=O)O)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25N3O7S/c1-28-23-11-6-4-9-21(23)26(22-10-5-7-12-24(22)28)27(33)29(18-8-2-3-13-25(31)32)38(36,37)20-16-14-19(15-17-20)30(34)35/h4-7,9-12,14-17H,2-3,8,13,18H2,1H3/p+1