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

Systemtic Name: (3S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-methyl-N-[[4-(1-piperidyl)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-methyl-N-[[4-(1-piperidinyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-methyl-N-(4-piperidinobenzyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H31N3O3S2/c1-24(17-19-9-11-21(12-10-19)25-13-3-2-4-14-25)23(27)20-7-5-15-26(18-20)31(28,29)22-8-6-16-30-22/h6,8-12,16,20H,2-5,7,13-15,17-18H2,1H3/t20-/m0/s1