N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-(4-chloro-3-piperidinosulfonyl-phenyl)-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C21H22ClN5O3S MolecularWeight: 459.94908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN5O3S/c1-15-20(25-27(24-15)17-8-4-2-5-9-17)21(28)23-16-10-11-18(22)19(14-16)31(29,30)26-12-6-3-7-13-26/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,23,28)