1-ethylsulfonyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxamide

Systemtic Name: 1-ethylsulfonyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxamide Openeye Name: 1-ethylsulfonyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxamide CAS Name: 1-ethylsulfonyl-N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]-4-piperidinecarboxamide IUPAC Name: 1-ethylsulfonyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxamide Traditional Name: 1-esyl-N-[3-[4-(2-fluorophenyl)piperazino]propyl]isonipecotamide Formula: C21H33FN4O3S MolecularWeight: 440.575123

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C21H33FN4O3S/c1-2-30(28,29)26-12-8-18(9-13-26)21(27)23-10-5-11-24-14-16-25(17-15-24)20-7-4-3-6-19(20)22/h3-4,6-7,18H,2,5,8-17H2,1H3,(H,23,27)