N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[(4-chlorophenyl)-(1-methyl-2-imidazolyl)methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C21H23ClN4O3S2 MolecularWeight: 479.01532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H23ClN4O3S2/c1-25-12-10-23-20(25)19(15-6-8-17(22)9-7-15)24-21(27)16-4-2-11-26(14-16)31(28,29)18-5-3-13-30-18/h3,5-10,12-13,16,19H,2,4,11,14H2,1H3,(H,24,27)