2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-N-methyl-2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-propan-2-ylacetamide IUPAC Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-propan-2-ylacetamide Traditional Name: N-isopropyl-N-methyl-2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S/c1-6-17(4)18-7-9-19(10-8-18)27(25,26)23-13-11-22(12-14-23)15-20(24)21(5)16(2)3/h7-10,16-17H,6,11-15H2,1-5H3/p+1/t17-/m0/s1