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

Systemtic Name: N-[3-[butyl-(phenylmethyl)amino]propyl]-1-ethylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[3-[benzyl(butyl)amino]propyl]-1-ethylsulfonyl-piperidine-3-carboxamide CAS Name: N-[3-[butyl-(phenylmethyl)amino]propyl]-1-ethylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[3-[benzyl(butyl)amino]propyl]-1-ethylsulfonylpiperidine-3-carboxamide Traditional Name: N-[3-[benzyl(butyl)amino]propyl]-1-esyl-nipecotamide Formula: C22H37N3O3S MolecularWeight: 423.61248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCNC(=O)C1CCCN(C1)S(=O)(=O)CC)CC2=CC=CC=C2

Isomeric SMILES

CCCCN(CCCNC(=O)C1CCCN(C1)S(=O)(=O)CC)CC2=CC=CC=C2

InChI

InChI=1S/C22H37N3O3S/c1-3-5-15-24(18-20-11-7-6-8-12-20)16-10-14-23-22(26)21-13-9-17-25(19-21)29(27,28)4-2/h6-8,11-12,21H,3-5,9-10,13-19H2,1-2H3,(H,23,26)