N-[(3-aminocarbonylphenyl)methyl]-1-(4-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3-aminocarbonylphenyl)methyl]-1-(4-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-[(3-carbamoylphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-[(3-carbamoylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-[(3-carbamoylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-(3-carbamoylbenzyl)isonipecotamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C22H25N3O5S/c1-15(26)17-5-7-20(8-6-17)31(29,30)25-11-9-18(10-12-25)22(28)24-14-16-3-2-4-19(13-16)21(23)27/h2-8,13,18H,9-12,14H2,1H3,(H2,23,27)(H,24,28)