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

Systemtic Name: (3S)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[[4-(1-piperidylmethyl)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[[4-(1-piperidinylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-(piperidinomethyl)benzyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H31N3O3S2/c27-23(21-6-4-14-26(18-21)31(28,29)22-7-5-15-30-22)24-16-19-8-10-20(11-9-19)17-25-12-2-1-3-13-25/h5,7-11,15,21H,1-4,6,12-14,16-18H2,(H,24,27)/t21-/m0/s1