4-chloranyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-chloro-N-[4-[(1-methyl-2-imidazolyl)thio]phenyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[4-[(1-methylimidazol-2-yl)thio]phenyl]-3-piperidinosulfonyl-benzamide Formula: C22H23ClN4O3S2 MolecularWeight: 491.02602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CN1C=CN=C1SC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H23ClN4O3S2/c1-26-14-11-24-22(26)31-18-8-6-17(7-9-18)25-21(28)16-5-10-19(23)20(15-16)32(29,30)27-12-3-2-4-13-27/h5-11,14-15H,2-4,12-13H2,1H3,(H,25,28)