2-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 2-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropyl-benzamide Formula: C23H26N5O4S+ MolecularWeight: 468.54864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H25N5O4S/c24-15-17-5-1-4-8-21(17)33(31,32)28-13-11-27(12-14-28)16-22(29)26-20-7-3-2-6-19(20)23(30)25-18-9-10-18/h1-8,18H,9-14,16H2,(H,25,30)(H,26,29)/p+1