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

Systemtic Name: N-cyclopropyl-2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-cyclopropyl-benzamide CAS Name: N-cyclopropyl-2-[[1-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: 2-[[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-cyclopropyl-benzamide Formula: C23H29N4O4S+ MolecularWeight: 457.56576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O4S/c28-22(25-21-9-5-4-8-20(21)23(29)24-19-10-11-19)16-26-12-14-27(15-13-26)32(30,31)17-18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,24,29)(H,25,28)/p+1