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

Systemtic Name: methyl N-[(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate CAS Name: N-[(2R)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propanoyl]carbamic acid methyl ester Formula: C17H26N3O6S+ MolecularWeight: 400.46984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC(=O)OC

InChI

InChI=1S/C17H25N3O6S/c1-4-26-14-5-7-15(8-6-14)27(23,24)20-11-9-19(10-12-20)13(2)16(21)18-17(22)25-3/h5-8,13H,4,9-12H2,1-3H3,(H,18,21,22)/p+1/t13-/m1/s1