N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-cyano-benzamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-cyano-benzamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-cyano-benzamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-4-cyanobenzamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-cyanobenzamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-4-cyano-benzamide Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H16ClN3O3S/c19-16-8-7-15(26(24,25)22-9-1-2-10-22)11-17(16)21-18(23)14-5-3-13(12-20)4-6-14/h3-8,11H,1-2,9-10H2,(H,21,23)