(3S)-N-[[4-(diethylaminomethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[[4-(diethylaminomethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[[4-(diethylaminomethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[[4-(diethylaminomethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-(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=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H31N3O3S2/c1-3-24(4-2)16-19-11-9-18(10-12-19)15-23-22(26)20-7-5-13-25(17-20)30(27,28)21-8-6-14-29-21/h6,8-12,14,20H,3-5,7,13,15-17H2,1-2H3,(H,23,26)/t20-/m0/s1