2-[4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-2-yl]carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-2-yl]carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-2-carbonyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-piperazinyl]-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-2-carbonyl]piperazino]acetic acid Formula: C21H25ClN4O5S MolecularWeight: 480.965

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C(=O)N2CCN(CC2)CC(=O)O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CC(N1)C(=O)N2CCN(CC2)CC(=O)O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C21H25ClN4O5S/c22-17-3-1-16-12-18(4-2-15(16)11-17)32(30,31)26-6-5-23-19(13-26)21(29)25-9-7-24(8-10-25)14-20(27)28/h1-4,11-12,19,23H,5-10,13-14H2,(H,27,28)