(3S)-1-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-[5-[(4-benzyl-1-piperidyl)sulfonyl]-2-pyridyl]piperidine-3-carboxamide CAS Name: (3S)-1-[5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-2-pyridinyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[5-(4-benzylpiperidin-1-yl)sulfonylpyridin-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-[5-(4-benzylpiperidino)sulfonyl-2-pyridyl]nipecotamide Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C23H30N4O3S/c24-23(28)20-7-4-12-26(17-20)22-9-8-21(16-25-22)31(29,30)27-13-10-19(11-14-27)15-18-5-2-1-3-6-18/h1-3,5-6,8-9,16,19-20H,4,7,10-15,17H2,(H2,24,28)/t20-/m0/s1