N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4)C

InChI

InChI=1S/C23H27N5O3S/c1-17-4-3-5-18(2)28(17)32(30,31)22-12-10-21(11-13-22)26-23(29)20-8-6-19(7-9-20)14-27-16-24-15-25-27/h6-13,15-18H,3-5,14H2,1-2H3,(H,26,29)