N-(7-chloranyl-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(7-chloranyl-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(7-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(7-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(7-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(7-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidinosulfonyl-benzamide Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)Cl)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)Cl)C

InChI

InChI=1S/C21H22ClN3O3S2/c1-3-25-18-14(2)6-11-17(22)19(18)29-21(25)23-20(26)15-7-9-16(10-8-15)30(27,28)24-12-4-5-13-24/h6-11H,3-5,12-13H2,1-2H3