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

Systemtic Name: (3S)-N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-(1-piperidyl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[4-(1-piperidinyl)phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-piperidinophenyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S2/c25-21(22-18-8-10-19(11-9-18)23-12-2-1-3-13-23)17-6-4-14-24(16-17)29(26,27)20-7-5-15-28-20/h5,7-11,15,17H,1-4,6,12-14,16H2,(H,22,25)/t17-/m0/s1