1-[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylpiperidine-4-carboxamide

Systemtic Name: 1-[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylpiperidine-4-carboxamide Openeye Name: 1-[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylpiperidine-4-carboxamide CAS Name: 1-[3-[1-azepanyl(oxo)methyl]-4-methoxyphenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-[3-(azepane-1-carbonyl)-4-methoxyphenyl]sulfonylpiperidine-4-carboxamide Traditional Name: 1-[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylisonipecotamide Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O5S/c1-28-18-7-6-16(14-17(18)20(25)22-10-4-2-3-5-11-22)29(26,27)23-12-8-15(9-13-23)19(21)24/h6-7,14-15H,2-5,8-13H2,1H3,(H2,21,24)