N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-isobutoxy-phenyl)-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-isobutoxy-phenyl)-1-esyl-isonipecotamide Formula: C18H27ClN2O4S MolecularWeight: 402.93598

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=C(C=C2)OCC(C)C)Cl

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=C(C=C2)OCC(C)C)Cl

InChI

InChI=1S/C18H27ClN2O4S/c1-4-26(23,24)21-9-7-14(8-10-21)18(22)20-15-5-6-17(16(19)11-15)25-12-13(2)3/h5-6,11,13-14H,4,7-10,12H2,1-3H3,(H,20,22)