N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-chloranyl-4-fluoranyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-chloranyl-4-fluoranyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-chloro-4-fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(3-chloro-4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-chloro-4-fluoro-phenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C23H25ClFN3O4S MolecularWeight: 493.978703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H25ClFN3O4S/c24-20-14-18(7-10-21(20)25)28-15-16(13-22(28)29)23(30)26-17-5-8-19(9-6-17)33(31,32)27-11-3-1-2-4-12-27/h5-10,14,16H,1-4,11-13,15H2,(H,26,30)