4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[(2-morpholino-1,3-benzothiazol-6-yl)amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[(2-morpholino-1,3-benzothiazol-6-yl)amino]-3-nitro-benzenesulfonamide Formula: C17H17N5O5S2 MolecularWeight: 435.47738

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O5S2/c18-29(25,26)12-2-4-13(15(10-12)22(23)24)19-11-1-3-14-16(9-11)28-17(20-14)21-5-7-27-8-6-21/h1-4,9-10,19H,5-8H2,(H2,18,25,26)