1-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]benzotriazole

Systemtic Name: 1-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]benzotriazole Openeye Name: 1-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-4-piperidyl]benzotriazole CAS Name: 1-[1-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-4-piperidinyl]benzotriazole IUPAC Name: 1-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]benzotriazole Traditional Name: 1-[1-(4-pyrrolidinosulfonylphenyl)sulfonyl-4-piperidyl]benzotriazole Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H25N5O4S2/c27-31(28,24-13-3-4-14-24)18-7-9-19(10-8-18)32(29,30)25-15-11-17(12-16-25)26-21-6-2-1-5-20(21)22-23-26/h1-2,5-10,17H,3-4,11-16H2