N-[3-(tert-butylamino)propyl]-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(tert-butylamino)propyl]-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-[3-(tert-butylamino)propyl]piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-[3-(tert-butylamino)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-[3-(tert-butylamino)propyl]piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-[3-(tert-butylamino)propyl]isonipecotamide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCNC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCNC(C)(C)C

InChI

InChI=1S/C21H33N3O4S/c1-16(25)18-7-5-8-19(15-18)29(27,28)24-13-9-17(10-14-24)20(26)22-11-6-12-23-21(2,3)4/h5,7-8,15,17,23H,6,9-14H2,1-4H3,(H,22,26)