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

Systemtic Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: N-(2-furylmethyl)-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-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: N-(2-furfuryl)-2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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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)NCC3=CC=CO3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H29N3O4S/c1-3-17(2)18-6-8-20(9-7-18)29(26,27)24-12-10-23(11-13-24)16-21(25)22-15-19-5-4-14-28-19/h4-9,14,17H,3,10-13,15-16H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1