4-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O6S3 MolecularWeight: 495.59224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21N3O6S3/c1-29-16-8-5-13(11-18(16)32(27,28)23-9-3-4-10-23)19(24)22-20-21-15-7-6-14(31(2,25)26)12-17(15)30-20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,22,24)