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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]piperidine-4-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[3-(2-oxo-1-azepanyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-1-tosyl-isonipecotamide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4S/c1-18-7-9-20(10-8-18)30(28,29)25-16-11-19(12-17-25)22(27)23-13-5-15-24-14-4-2-3-6-21(24)26/h7-10,19H,2-6,11-17H2,1H3,(H,23,27)