1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide

Systemtic Name: 1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide Openeye Name: N-(2-pyrrolidin-1-ylbutyl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-N-[2-(1-pyrrolidinyl)butyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide Traditional Name: N-(2-pyrrolidinobutyl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C22H33N3O3S/c1-2-21(24-13-6-7-14-24)18-23-22(26)20-10-15-25(16-11-20)29(27,28)17-12-19-8-4-3-5-9-19/h3-5,8-9,12,17,20-21H,2,6-7,10-11,13-16,18H2,1H3,(H,23,26)/b17-12+