N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28ClN4O4S+ MolecularWeight: 455.97872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C20H27ClN4O4S/c21-17-6-5-16(30(28,29)25-7-1-2-8-25)13-18(17)22-19(26)14-23-9-11-24(12-10-23)20(27)15-3-4-15/h5-6,13,15H,1-4,7-12,14H2,(H,22,26)/p+1