N-[2-(azepan-1-yl)ethyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-(2,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCN3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCN3CCCCCC3)C

InChI

InChI=1S/C22H35N3O3S/c1-18-7-8-21(19(2)17-18)29(27,28)25-14-9-20(10-15-25)22(26)23-11-16-24-12-5-3-4-6-13-24/h7-8,17,20H,3-6,9-16H2,1-2H3,(H,23,26)