N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methyl-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methyl-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methyl-5-piperidinosulfonyl-benzamide Formula: C21H22ClN5O3S MolecularWeight: 459.94908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C21H22ClN5O3S/c1-15-5-7-17(31(29,30)26-9-3-2-4-10-26)12-18(15)21(28)25-19-11-16(22)6-8-20(19)27-14-23-13-24-27/h5-8,11-14H,2-4,9-10H2,1H3,(H,25,28)