N-(2-diethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide CAS Name: N-(2-diethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide Traditional Name: N-(2-diethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-mesyl-benzamide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(C=CC(=C2S1)C)C)C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(C=CC(=C2S1)C)C)C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C23H29N3O3S2/c1-6-25(7-2)14-15-26(22(27)18-10-8-9-11-19(18)31(5,28)29)23-24-20-16(3)12-13-17(4)21(20)30-23/h8-13H,6-7,14-15H2,1-5H3