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

Systemtic Name: 2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-N-(3-nitrophenyl)acetamide CAS Name: 2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-N-(3-nitrophenyl)acetamide Traditional Name: 2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxy-N-(3-nitrophenyl)acetamide Formula: C20H22N6O6S MolecularWeight: 474.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O6S/c1-14-4-3-9-24(12-14)33(30,31)17-7-8-18-19(11-17)25(23-22-18)32-13-20(27)21-15-5-2-6-16(10-15)26(28)29/h2,5-8,10-11,14H,3-4,9,12-13H2,1H3,(H,21,27)/t14-/m0/s1