N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: 3-besyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)propionamide Formula: C25H31N3O4S2 MolecularWeight: 501.66134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

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