methyl N-[(2R)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate CAS Name: N-[(2R)-1-oxo-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]propyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)propanoyl]carbamic acid methyl ester Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-13(2)15-5-7-16(8-6-15)27(24,25)21-11-9-20(10-12-21)14(3)17(22)19-18(23)26-4/h5-8,13-14H,9-12H2,1-4H3,(H,19,22,23)/p+1/t14-/m1/s1