N-[3-[ethyl-(3-methylphenyl)amino]propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[3-[ethyl-(3-methylphenyl)amino]propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[3-(N-ethyl-3-methyl-anilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(N-ethyl-3-methylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(N-ethyl-3-methylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[3-(N-ethyl-3-methyl-anilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)isonipecotamide Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CN2)C3=CC=CC(=C3)C

Isomeric SMILES

CCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CN2)C3=CC=CC(=C3)C

InChI

InChI=1S/C21H31N5O3S/c1-3-25(19-7-4-6-17(2)14-19)11-5-10-23-21(27)18-8-12-26(13-9-18)30(28,29)20-15-22-16-24-20/h4,6-7,14-16,18H,3,5,8-13H2,1-2H3,(H,22,24)(H,23,27)