N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-isopropyl-2-[4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-isopropyl-2-[4-(4-pyrrolidinosulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H30N4O4S/c1-16(2)21-19(25)15-22-11-13-23(14-12-22)20(26)17-5-7-18(8-6-17)29(27,28)24-9-3-4-10-24/h5-8,16H,3-4,9-15H2,1-2H3,(H,21,25)/p+1