naphthalene-2-sulfonic acid; N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide

Systemtic Name: naphthalene-2-sulfonic acid; N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide Openeye Name: naphthalene-2-sulfonic acid; N-[4-(3-nitrophenyl)thiazol-2-yl]benzenesulfonamide CAS Name: 2-naphthalenesulfonic acid; N-[4-(3-nitrophenyl)-2-thiazolyl]benzenesulfonamide IUPAC Name: naphthalene-2-sulfonic acid; N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide Traditional Name: naphthalene-2-sulfonic acid; N-[4-(3-nitrophenyl)thiazol-2-yl]benzenesulfonamide Formula: C25H19N3O7S3 MolecularWeight: 569.62926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-].C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-].C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

InChI

InChI=1S/C15H11N3O4S2.C10H8O3S/c19-18(20)12-6-4-5-11(9-12)14-10-23-15(16-14)17-24(21,22)13-7-2-1-3-8-13;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-10H,(H,16,17);1-7H,(H,11,12,13)