N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]-2-phenyl-triazole-4-carboxamide CAS Name: N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]-2-phenyl-triazole-4-carboxamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S/c1-16-6-5-13-25(15-16)30(28,29)19-11-9-17(10-12-19)23-21(27)20-14-22-26(24-20)18-7-3-2-4-8-18/h2-4,7-12,14,16H,5-6,13,15H2,1H3,(H,23,27)/t16-/m0/s1