1-ethylsulfonyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-4-carboxamide

Systemtic Name: 1-ethylsulfonyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-4-carboxamide Openeye Name: 1-ethylsulfonyl-N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]piperidine-4-carboxamide CAS Name: 1-ethylsulfonyl-N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-ethylsulfonyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-4-carboxamide Traditional Name: 1-esyl-N-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]isonipecotamide Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC[C@@H](C3)C

InChI

InChI=1S/C20H31N3O5S2/c1-3-29(25,26)22-13-10-17(11-14-22)20(24)21-18-6-8-19(9-7-18)30(27,28)23-12-4-5-16(2)15-23/h6-9,16-17H,3-5,10-15H2,1-2H3,(H,21,24)/t16-/m0/s1