N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidinosulfonyl-benzamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S2/c1-4-25-19-14-15(2)13-16(3)20(19)29-22(25)23-21(26)17-7-9-18(10-8-17)30(27,28)24-11-5-6-12-24/h7-10,13-14H,4-6,11-12H2,1-3H3