N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-pyridyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-pyridinyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-pyridyl)ethyl]-1-mesyl-isonipecotamide Formula: C20H24ClN3O5S2 MolecularWeight: 486.00466

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC[C@H](C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O5S2/c1-30(26,27)24-11-8-15(9-12-24)20(25)23-14-19(16-3-2-10-22-13-16)31(28,29)18-6-4-17(21)5-7-18/h2-7,10,13,15,19H,8-9,11-12,14H2,1H3,(H,23,25)/t19-/m1/s1