N1-[3-(1,3-benzothiazol-2-yl)phenyl]-N3-cyclopropyl-benzene-1,3-disulfonamide

Systemtic Name: N1-[3-(1,3-benzothiazol-2-yl)phenyl]-N3-cyclopropyl-benzene-1,3-disulfonamide Openeye Name: N1-[3-(1,3-benzothiazol-2-yl)phenyl]-N3-cyclopropyl-benzene-1,3-disulfonamide CAS Name: N1-[3-(1,3-benzothiazol-2-yl)phenyl]-N3-cyclopropylbenzene-1,3-disulfonamide IUPAC Name: 1-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-N-cyclopropylbenzene-1,3-disulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-N'-cyclopropyl-benzene-1,3-disulfonamide Formula: C22H19N3O4S3 MolecularWeight: 485.59896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H19N3O4S3/c26-31(27,24-16-11-12-16)18-7-4-8-19(14-18)32(28,29)25-17-6-3-5-15(13-17)22-23-20-9-1-2-10-21(20)30-22/h1-10,13-14,16,24-25H,11-12H2