3,5-dimethyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3,5-dimethyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3,5-dimethyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 3,5-dimethyl-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 3,5-dimethyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3,5-dimethyl-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C20H21N3O3S2/c1-13-9-14(2)11-15(10-13)19(24)22-20-21-17-6-5-16(12-18(17)27-20)28(25,26)23-7-3-4-8-23/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,22,24)