N-[3-[butyl(phenyl)amino]propyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[butyl(phenyl)amino]propyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(N-butylanilino)propyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(N-butylanilino)propyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(N-butylanilino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(N-butylanilino)propyl]-1-esyl-isonipecotamide Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)CC)C2=CC=CC=C2

Isomeric SMILES

CCCCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)CC)C2=CC=CC=C2

InChI

InChI=1S/C21H35N3O3S/c1-3-5-15-23(20-10-7-6-8-11-20)16-9-14-22-21(25)19-12-17-24(18-13-19)28(26,27)4-2/h6-8,10-11,19H,3-5,9,12-18H2,1-2H3,(H,22,25)