(2R)-N-cyclopentyl-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-cyclopentyl-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentyl-propanamide CAS Name: (2R)-2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclopentylpropanamide IUPAC Name: (2R)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylpropanamide Traditional Name: (2R)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentyl-propionamide Formula: C20H30N3O4S+ MolecularWeight: 408.5349

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C20H29N3O4S/c1-15(20(25)21-18-5-3-4-6-18)22-11-13-23(14-12-22)28(26,27)19-9-7-17(8-10-19)16(2)24/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,21,25)/p+1/t15-/m1/s1