(2R)-2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide

Systemtic Name: (2R)-2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2R)-N-cyclopropyl-2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2R)-N-cyclopropyl-2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3CC3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC3CC3

InChI

InChI=1S/C20H31N3O3S/c1-4-15(2)17-5-9-19(10-6-17)27(25,26)23-13-11-22(12-14-23)16(3)20(24)21-18-7-8-18/h5-6,9-10,15-16,18H,4,7-8,11-14H2,1-3H3,(H,21,24)/p+1/t15-,16+/m0/s1