N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-besyl-N-(2-dimethylaminoethyl)-N-(6-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(S1)C=C(C=C2)OC)C(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

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