1-chloranyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzo[e][1]benzothiole-2-carboxamide

Systemtic Name: 1-chloranyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzo[e][1]benzothiole-2-carboxamide Openeye Name: 1-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzo[e]benzothiophene-2-carboxamide CAS Name: 1-chloro-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-benzo[e][1]benzothiolecarboxamide IUPAC Name: 1-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzo[e][1]benzothiole-2-carboxamide Traditional Name: 1-chloro-N-(4-pyrrolidinosulfonylphenyl)benzo[e]benzothiophene-2-carboxamide Formula: C23H19ClN2O3S2 MolecularWeight: 470.99156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=CC5=CC=CC=C54)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=CC5=CC=CC=C54)Cl

InChI

InChI=1S/C23H19ClN2O3S2/c24-21-20-18-6-2-1-5-15(18)7-12-19(20)30-22(21)23(27)25-16-8-10-17(11-9-16)31(28,29)26-13-3-4-14-26/h1-2,5-12H,3-4,13-14H2,(H,25,27)