methyl 3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C21H22N6O4S2 MolecularWeight: 486.56718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H22N6O4S2/c1-31-21(28)19-18(8-13-32-19)33(29,30)26-10-6-15(7-11-26)20-22-9-12-25(20)14-27-17-5-3-2-4-16(17)23-24-27/h2-5,8-9,12-13,15H,6-7,10-11,14H2,1H3