N-(1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide hydrochloride

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide hydrochloride Openeye Name: N-(1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(3-morpholinopropyl)benzamide hydrochloride CAS Name: N-(1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-[3-(4-morpholinyl)propyl]benzamide hydrochloride IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide hydrochloride Traditional Name: N-(1,3-benzothiazol-2-yl)-3-mesyl-N-(3-morpholinopropyl)benzamide hydrochloride Formula: C22H26ClN3O4S2 MolecularWeight: 496.04254

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=CC=CC=C4S3.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=CC=CC=C4S3.Cl

InChI

InChI=1S/C22H25N3O4S2.ClH/c1-31(27,28)18-7-4-6-17(16-18)21(26)25(11-5-10-24-12-14-29-15-13-24)22-23-19-8-2-3-9-20(19)30-22;/h2-4,6-9,16H,5,10-15H2,1H3;1H