2-(2,4-dimethyl-1-naphthalen-2-ylsulfonyl-3-oxidanylidene-piperazin-2-yl)ethanoic acid

Systemtic Name: 2-(2,4-dimethyl-1-naphthalen-2-ylsulfonyl-3-oxidanylidene-piperazin-2-yl)ethanoic acid Openeye Name: 2-[2,4-dimethyl-1-(2-naphthylsulfonyl)-3-oxo-piperazin-2-yl]acetic acid CAS Name: 2-[2,4-dimethyl-1-(2-naphthalenylsulfonyl)-3-oxo-2-piperazinyl]acetic acid IUPAC Name: 2-(2,4-dimethyl-1-naphthalen-2-ylsulfonyl-3-oxopiperazin-2-yl)acetic acid Traditional Name: 2-[3-keto-2,4-dimethyl-1-(2-naphthylsulfonyl)piperazin-2-yl]acetic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C)CC(=O)O

Isomeric SMILES

CC1(C(=O)N(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C)CC(=O)O

InChI

InChI=1S/C18H20N2O5S/c1-18(12-16(21)22)17(23)19(2)9-10-20(18)26(24,25)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)