4-(4-carbamimidoylphenyl)-1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 4-(4-carbamimidoylphenyl)-1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 4-(4-carbamimidoylphenyl)-1-[(6-chloro-2-naphthyl)sulfonyl]-3-oxo-piperazine-2-carboxylic acid CAS Name: 4-(4-carbamimidoylphenyl)-1-[(6-chloro-2-naphthalenyl)sulfonyl]-3-oxo-2-piperazinecarboxylic acid IUPAC Name: 4-(4-carbamimidoylphenyl)-1-(6-chloronaphthalen-2-yl)sulfonyl-3-oxopiperazine-2-carboxylic acid Traditional Name: 4-(4-amidinophenyl)-1-[(6-chloro-2-naphthyl)sulfonyl]-3-keto-piperazine-2-carboxylic acid Formula: C22H19ClN4O5S MolecularWeight: 486.92806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(N1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CN(C(=O)C(N1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C22H19ClN4O5S/c23-16-5-1-15-12-18(8-4-14(15)11-16)33(31,32)27-10-9-26(21(28)19(27)22(29)30)17-6-2-13(3-7-17)20(24)25/h1-8,11-12,19H,9-10H2,(H3,24,25)(H,29,30)