N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-hydroxy-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-hydroxy-5-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)O)C

InChI

InChI=1S/C20H21N3O4S2/c1-12-9-13(2)18-17(10-12)28-20(21-18)22-19(25)15-11-14(5-6-16(15)24)29(26,27)23-7-3-4-8-23/h5-6,9-11,24H,3-4,7-8H2,1-2H3,(H,21,22,25)