methyl 2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetate CAS Name: 2-[[2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]acetyl]amino]acetic acid methyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCC(=O)OC)C

InChI

InChI=1S/C17H25N3O5S/c1-13-4-5-15(10-14(13)2)26(23,24)20-8-6-19(7-9-20)12-16(21)18-11-17(22)25-3/h4-5,10H,6-9,11-12H2,1-3H3,(H,18,21)