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

Systemtic Name: 2-chloranyl-5-nitro-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-chloro-5-nitro-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-chloro-5-nitro-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 2-chloro-5-nitro-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-chloro-5-nitro-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)benzamide Formula: C18H15ClN4O5S2 MolecularWeight: 466.9185

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O5S2/c19-14-5-3-11(23(25)26)9-13(14)17(24)21-18-20-15-6-4-12(10-16(15)29-18)30(27,28)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H,20,21,24)