1-(2,3-dihydroindol-1-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-ethanone

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-ethanone Openeye Name: 1-indolin-1-yl-2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-ethanone CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]ethanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyethanone Traditional Name: 1-indolin-1-yl-2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxy-ethanone Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C22H25N5O4S/c1-16-5-4-11-25(14-16)32(29,30)18-8-9-19-21(13-18)27(24-23-19)31-15-22(28)26-12-10-17-6-2-3-7-20(17)26/h2-3,6-9,13,16H,4-5,10-12,14-15H2,1H3/t16-/m0/s1