2-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]amino]ethanoic acid

Systemtic Name: 2-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]amino]ethanoic acid Openeye Name: 2-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]amino]acetic acid CAS Name: 2-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]amino]acetic acid IUPAC Name: 2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetic acid Traditional Name: 2-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]amino]acetic acid Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)NCC(=O)O

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)NCC(=O)O

InChI

InChI=1S/C16H16ClN3O5S/c17-13-3-1-12-8-14(4-2-11(12)7-13)26(24,25)19-5-6-20(15(21)10-19)18-9-16(22)23/h1-4,7-8,18H,5-6,9-10H2,(H,22,23)