N-[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazinyl)phenyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazino)phenyl]-1-esyl-isonipecotamide Formula: C20H31ClN4O3S MolecularWeight: 443.00314

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3CCN(CC3)S(=O)(=O)CC

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3CCN(CC3)S(=O)(=O)CC

InChI

InChI=1S/C20H31ClN4O3S/c1-3-23-11-13-24(14-12-23)19-6-5-17(21)15-18(19)22-20(26)16-7-9-25(10-8-16)29(27,28)4-2/h5-6,15-16H,3-4,7-14H2,1-2H3,(H,22,26)