N3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzene-1,3-disulfonamide

Systemtic Name: N3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzene-1,3-disulfonamide Openeye Name: N3-(2-morpholino-1,3-benzothiazol-6-yl)benzene-1,3-disulfonamide CAS Name: N3-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]benzene-1,3-disulfonamide IUPAC Name: 3-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzene-1,3-disulfonamide Traditional Name: N'-(2-morpholino-1,3-benzothiazol-6-yl)benzene-1,3-disulfonamide Formula: C17H18N4O5S3 MolecularWeight: 454.54362

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)N

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)N

InChI

InChI=1S/C17H18N4O5S3/c18-28(22,23)13-2-1-3-14(11-13)29(24,25)20-12-4-5-15-16(10-12)27-17(19-15)21-6-8-26-9-7-21/h1-5,10-11,20H,6-9H2,(H2,18,22,23)