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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-hydroxy-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-hydroxy-5-pyrrolidinosulfonyl-benzamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N3O4S2/c22-15-8-7-12(27(24,25)21-9-3-4-10-21)11-13(15)17(23)20-18-19-14-5-1-2-6-16(14)26-18/h1-2,5-8,11,22H,3-4,9-10H2,(H,19,20,23)