(3S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(diethylaminomethyl)benzyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H31N3O3S2/c1-3-24(4-2)16-19-10-6-5-9-18(19)15-23-22(26)20-11-7-13-25(17-20)30(27,28)21-12-8-14-29-21/h5-6,8-10,12,14,20H,3-4,7,11,13,15-17H2,1-2H3,(H,23,26)/t20-/m0/s1