N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-5-nitro-benzothiophene-2-carboxamide Formula: C19H16ClN3O5S2 MolecularWeight: 465.93044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H16ClN3O5S2/c20-15-5-3-13(11-18(15)30(27,28)22-7-1-2-8-22)21-19(24)17-10-12-9-14(23(25)26)4-6-16(12)29-17/h3-6,9-11H,1-2,7-8H2,(H,21,24)