N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C25H39N3O4S MolecularWeight: 477.65986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCCCCC3=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCCCCC3=O)C)C

InChI

InChI=1S/C25H39N3O4S/c1-18-17-19(2)21(4)24(20(18)3)33(31,32)28-15-10-22(11-16-28)25(30)26-12-8-14-27-13-7-5-6-9-23(27)29/h17,22H,5-16H2,1-4H3,(H,26,30)