N-methyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-N-phenyl-ethanamide

Systemtic Name: N-methyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-N-phenyl-ethanamide Openeye Name: N-methyl-2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-N-phenyl-acetamide CAS Name: N-methyl-2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]-N-phenylacetamide IUPAC Name: N-methyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-N-phenylacetamide Traditional Name: N-methyl-2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxy-N-phenyl-acetamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)N(C)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)N(C)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O4S/c1-16-7-6-12-25(14-16)31(28,29)18-10-11-19-20(13-18)26(23-22-19)30-15-21(27)24(2)17-8-4-3-5-9-17/h3-5,8-11,13,16H,6-7,12,14-15H2,1-2H3/t16-/m0/s1