N-[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CN(C)[C@H](CNC(=O)C1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C22H29N3O3S2/c1-24(2)20(21-9-6-15-29-21)17-23-22(26)19-10-13-25(14-11-19)30(27,28)16-12-18-7-4-3-5-8-18/h3-9,12,15-16,19-20H,10-11,13-14,17H2,1-2H3,(H,23,26)/b16-12+/t20-/m1/s1