4-[[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 4-[[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxymethyl]benzenecarbonitrile Openeye Name: 4-[[6-[(3-methyl-1-piperidyl)sulfonyl]benzotriazol-1-yl]oxymethyl]benzonitrile CAS Name: 4-[[6-[(3-methyl-1-piperidinyl)sulfonyl]-1-benzotriazolyl]oxymethyl]benzonitrile IUPAC Name: 4-[[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxymethyl]benzonitrile Traditional Name: 4-[[6-(3-methylpiperidino)sulfonylbenzotriazol-1-yl]oxymethyl]benzonitrile Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H21N5O3S/c1-15-3-2-10-24(13-15)29(26,27)18-8-9-19-20(11-18)25(23-22-19)28-14-17-6-4-16(12-21)5-7-17/h4-9,11,15H,2-3,10,13-14H2,1H3