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

Systemtic Name: N-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[(2-morpholino-1,3-benzothiazol-6-yl)amino]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[(2-morpholino-1,3-benzothiazol-6-yl)amino]-3-nitro-benzenesulfonamide Formula: C18H19N5O5S2 MolecularWeight: 449.50396

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5S2/c1-19-30(26,27)13-3-5-14(16(11-13)23(24)25)20-12-2-4-15-17(10-12)29-18(21-15)22-6-8-28-9-7-22/h2-5,10-11,19-20H,6-9H2,1H3