methyl (2R,3S)-3-methyl-2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]pentanoate Openeye Name: methyl (2R,3S)-2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[[2-(4-besylpiperazin-1-ium-1-yl)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H29N3O5S/c1-4-15(2)18(19(24)27-3)20-17(23)14-21-10-12-22(13-11-21)28(25,26)16-8-6-5-7-9-16/h5-9,15,18H,4,10-14H2,1-3H3,(H,20,23)/p+1/t15-,18+/m0/s1