N-[3-(azepan-1-yl)propyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-tosyl-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)NCCCN3CCCCCC3

Isomeric SMILES

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

InChI

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