1-ethyl-2,3-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)indole-5-carboxamide

Systemtic Name: 1-ethyl-2,3-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)indole-5-carboxamide Openeye Name: 1-ethyl-2,3-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)indole-5-carboxamide CAS Name: 1-ethyl-2,3-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-indolecarboxamide IUPAC Name: 1-ethyl-2,3-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)indole-5-carboxamide Traditional Name: 1-ethyl-N-(6-mesyl-1,3-benzothiazol-2-yl)-2,3-dimethyl-indole-5-carboxamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C1C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C)C

Isomeric SMILES

CCN1C(=C(C2=C1C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C)C

InChI

InChI=1S/C21H21N3O3S2/c1-5-24-13(3)12(2)16-10-14(6-9-18(16)24)20(25)23-21-22-17-8-7-15(29(4,26)27)11-19(17)28-21/h6-11H,5H2,1-4H3,(H,22,23,25)