N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: 3-besyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)propionamide Formula: C25H31N3O4S2 MolecularWeight: 501.66134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCS(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H31N3O4S2/c1-19-17-20(2)24-22(18-19)26-25(33-24)28(11-6-10-27-12-14-32-15-13-27)23(29)9-16-34(30,31)21-7-4-3-5-8-21/h3-5,7-8,17-18H,6,9-16H2,1-2H3