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

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-besyl-N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)butyramide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S2/c1-4-18-10-8-13-20-22(18)24-23(30-20)26(16-15-25(2)3)21(27)14-9-17-31(28,29)19-11-6-5-7-12-19/h5-8,10-13H,4,9,14-17H2,1-3H3