N-[3-[(3-chlorophenyl)methylamino]-3-oxidanylidene-propyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[(3-chlorophenyl)methylamino]-3-oxidanylidene-propyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-[(3-chlorophenyl)methylamino]-3-oxo-propyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-[(3-chlorobenzyl)amino]-3-keto-propyl]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C22H25ClFN3O4S MolecularWeight: 481.968003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC(=O)NCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)NCCC(=O)NCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25ClFN3O4S/c23-18-3-1-2-16(14-18)15-26-21(28)8-11-25-22(29)17-9-12-27(13-10-17)32(30,31)20-6-4-19(24)5-7-20/h1-7,14,17H,8-13,15H2,(H,25,29)(H,26,28)