N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: 4-besyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butyramide Formula: C25H31N3O4S2 MolecularWeight: 501.66134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O4S2/c1-20-8-5-11-22-24(20)26-25(33-22)28(14-7-13-27-15-17-32-18-16-27)23(29)12-6-19-34(30,31)21-9-3-2-4-10-21/h2-5,8-11H,6-7,12-19H2,1H3