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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-5-pyrrolidinosulfonyl-benzamide Formula: C18H16ClN3O4S2 MolecularWeight: 437.92034

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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=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C18H16ClN3O4S2/c19-11-3-5-14-16(9-11)27-18(20-14)21-17(24)13-10-12(4-6-15(13)23)28(25,26)22-7-1-2-8-22/h3-6,9-10,23H,1-2,7-8H2,(H,20,21,24)