(2R)-N-(methylcarbamoyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(methylcarbamoyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide CAS Name: (2R)-N-(methylcarbamoyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(methylcarbamoyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(methylcarbamoyl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S/c1-13(2)15-5-7-16(8-6-15)27(25,26)22-11-9-21(10-12-22)14(3)17(23)20-18(24)19-4/h5-8,13-14H,9-12H2,1-4H3,(H2,19,20,23,24)/p+1/t14-/m1/s1