2-[4-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C22H31N6O4S+ MolecularWeight: 475.58434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H30N6O4S/c23-15-18-3-1-2-4-20(18)33(31,32)28-13-11-27(12-14-28)22(30)17-26-9-7-25(8-10-26)16-21(29)24-19-5-6-19/h1-4,19H,5-14,16-17H2,(H,24,29)/p+1