N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-besyl-N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propionamide Formula: C24H31N3O3S2 MolecularWeight: 473.65124

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C(=C2)C)C)C(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C(=C2)C)C)C(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3S2/c1-5-26(6-2)13-14-27(24-25-21-16-18(3)19(4)17-22(21)31-24)23(28)12-15-32(29,30)20-10-8-7-9-11-20/h7-11,16-17H,5-6,12-15H2,1-4H3