N-(4-methylsulfonyl-2-nitro-phenyl)-2-morpholin-4-yl-1,3-benzothiazol-6-amine

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)-2-morpholin-4-yl-1,3-benzothiazol-6-amine Openeye Name: N-(4-methylsulfonyl-2-nitro-phenyl)-2-morpholino-1,3-benzothiazol-6-amine CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)-2-(4-morpholinyl)-1,3-benzothiazol-6-amine IUPAC Name: N-(4-methylsulfonyl-2-nitrophenyl)-2-morpholin-4-yl-1,3-benzothiazol-6-amine Traditional Name: (4-mesyl-2-nitro-phenyl)-(2-morpholino-1,3-benzothiazol-6-yl)amine Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S2/c1-29(25,26)13-3-5-14(16(11-13)22(23)24)19-12-2-4-15-17(10-12)28-18(20-15)21-6-8-27-9-7-21/h2-5,10-11,19H,6-9H2,1H3