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

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3S/c1-16-5-8-18(13-20(16)30(28,29)25-11-3-2-4-12-25)24-21(27)17-6-9-19(10-7-17)26-15-22-14-23-26/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,27)