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

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-besyl-N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)butyramide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

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