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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide Traditional Name: N-(2-chlorobenzyl)-2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxy-acetamide Formula: C21H24ClN5O4S MolecularWeight: 477.96436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C21H24ClN5O4S/c1-15-5-4-10-26(13-15)32(29,30)17-8-9-19-20(11-17)27(25-24-19)31-14-21(28)23-12-16-6-2-3-7-18(16)22/h2-3,6-9,11,15H,4-5,10,12-14H2,1H3,(H,23,28)/t15-/m0/s1