N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2S)-2-(dimethylamino)-2-(2-furyl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-2-(dimethylamino)-2-(2-furanyl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(2S)-2-(dimethylamino)-2-(2-furyl)ethyl]-1-p-phenetylsulfonyl-isonipecotamide Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC=CO3)N(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@@H](C3=CC=CO3)N(C)C

InChI

InChI=1S/C22H31N3O5S/c1-4-29-18-7-9-19(10-8-18)31(27,28)25-13-11-17(12-14-25)22(26)23-16-20(24(2)3)21-6-5-15-30-21/h5-10,15,17,20H,4,11-14,16H2,1-3H3,(H,23,26)/t20-/m0/s1