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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-chloro-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-chloro-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-chloro-5-pyrrolidinosulfonyl-benzamide Formula: C18H16ClN3O3S2 MolecularWeight: 421.92094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3S2/c19-14-8-7-12(27(24,25)22-9-3-4-10-22)11-13(14)17(23)21-18-20-15-5-1-2-6-16(15)26-18/h1-2,5-8,11H,3-4,9-10H2,(H,20,21,23)