N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-methylsulfonyl-benzamide

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-methylsulfonyl-benzamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-methylsulfonyl-benzamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-methylsulfonylbenzamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-methylsulfonylbenzamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-mesyl-benzamide Formula: C20H22ClN3O3S2 MolecularWeight: 451.98998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N(CCN(C)C)C(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CCN(C)C)C(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H22ClN3O3S2/c1-13-16(21)8-9-17-18(13)22-20(28-17)24(11-10-23(2)3)19(25)14-6-5-7-15(12-14)29(4,26)27/h5-9,12H,10-11H2,1-4H3