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

Systemtic Name: N-cycloheptyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-ethanamide Openeye Name: N-cycloheptyl-2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-acetamide CAS Name: N-cycloheptyl-2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-cycloheptyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide Traditional Name: N-cycloheptyl-2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxy-acetamide Formula: C21H31N5O4S MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NC4CCCCCC4

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NC4CCCCCC4

InChI

InChI=1S/C21H31N5O4S/c1-16-7-6-12-25(14-16)31(28,29)18-10-11-19-20(13-18)26(24-23-19)30-15-21(27)22-17-8-4-2-3-5-9-17/h10-11,13,16-17H,2-9,12,14-15H2,1H3,(H,22,27)/t16-/m0/s1