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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC(=O)NC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC(=O)NC

InChI

InChI=1S/C18H28N4O4S/c1-4-5-15-6-8-16(9-7-15)27(25,26)22-12-10-21(11-13-22)14(2)17(23)20-18(24)19-3/h6-9,14H,4-5,10-13H2,1-3H3,(H2,19,20,23,24)/p+1/t14-/m1/s1