N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C21H22ClN5O3S MolecularWeight: 459.94908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)S(=O)(=O)N4CCCCC4

InChI

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