N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-naphthalen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-naphthalen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(2-naphthylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-1-(2-naphthalenylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[(1-methylimidazol-2-yl)thio]ethyl]-1-(2-naphthylsulfonyl)isonipecotamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H26N4O3S2/c1-25-14-10-24-22(25)30-15-11-23-21(27)18-8-12-26(13-9-18)31(28,29)20-7-6-17-4-2-3-5-19(17)16-20/h2-7,10,14,16,18H,8-9,11-13,15H2,1H3,(H,23,27)