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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-pyrrolidinosulfonyl-benzamide Formula: C19H19N3O5S3 MolecularWeight: 465.56626

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H19N3O5S3/c1-29(24,25)14-7-8-16-17(12-14)28-19(20-16)21-18(23)13-5-4-6-15(11-13)30(26,27)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,21,23)