ethyl N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate

Systemtic Name: ethyl N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: ethyl N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamic acid ethyl ester Formula: C17H26N3O5S+ MolecularWeight: 384.47044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O5S/c1-4-25-17(22)18-16(21)12-19-7-9-20(10-8-19)26(23,24)15-6-5-13(2)14(3)11-15/h5-6,11H,4,7-10,12H2,1-3H3,(H,18,21,22)/p+1