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

Systemtic Name: 1-methylsulfonyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonyl-ethyl]piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-[(2S)-2-(3-pyridyl)-2-(2-thienylsulfonyl)ethyl]piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-[(2S)-2-(3-pyridinyl)-2-thiophen-2-ylsulfonylethyl]-4-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]piperidine-4-carboxamide Traditional Name: 1-mesyl-N-[(2S)-2-(3-pyridyl)-2-(2-thienylsulfonyl)ethyl]isonipecotamide Formula: C18H23N3O5S3 MolecularWeight: 457.58732

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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=CS3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC[C@H](C2=CN=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H23N3O5S3/c1-28(23,24)21-9-6-14(7-10-21)18(22)20-13-16(15-4-2-8-19-12-15)29(25,26)17-5-3-11-27-17/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,20,22)/t16-/m1/s1