N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-besyl-N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)butyramide Formula: C25H33N3O3S2 MolecularWeight: 487.67782

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=CC(=C2C)C)C(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC(=C2C)C)C(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3S2/c1-5-27(6-2)16-17-28(25-26-24-20(4)19(3)14-15-22(24)32-25)23(29)13-10-18-33(30,31)21-11-8-7-9-12-21/h7-9,11-12,14-15H,5-6,10,13,16-18H2,1-4H3