1-(2,4-dimethylphenyl)sulfonyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]piperidine-4-carboxamide

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]piperidine-4-carboxamide Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[3-(2-oxo-1-azepanyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[3-(2-ketoazepan-1-yl)propyl]isonipecotamide Formula: C23H35N3O4S MolecularWeight: 449.6067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCCCCC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCCCCC3=O)C

InChI

InChI=1S/C23H35N3O4S/c1-18-8-9-21(19(2)17-18)31(29,30)26-15-10-20(11-16-26)23(28)24-12-6-14-25-13-5-3-4-7-22(25)27/h8-9,17,20H,3-7,10-16H2,1-2H3,(H,24,28)