N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)butanamide Traditional Name: 4-besyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)butyramide Formula: C22H26ClN3O4S2 MolecularWeight: 496.04254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O4S2/c1-25(2)13-14-26(22-24-20-18(30-3)12-11-17(23)21(20)31-22)19(27)10-7-15-32(28,29)16-8-5-4-6-9-16/h4-6,8-9,11-12H,7,10,13-15H2,1-3H3