2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C20H29N4O4S+ MolecularWeight: 421.53366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4S/c25-19(15-22-10-12-23(13-11-22)20(26)16-6-7-16)21-17-4-3-5-18(14-17)29(27,28)24-8-1-2-9-24/h3-5,14,16H,1-2,6-13,15H2,(H,21,25)/p+1