N-(2-dimethylaminoethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-besyl-N-(2-dimethylaminoethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butyramide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S2/c1-24(2)14-15-25(22-23-21-18(29-3)11-7-12-19(21)30-22)20(26)13-8-16-31(27,28)17-9-5-4-6-10-17/h4-7,9-12H,8,13-16H2,1-3H3