2-(4-carbamimidoylphenyl)-4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(4-carbamimidoylphenyl)-4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 2-(4-carbamimidoylphenyl)-4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 2-(4-carbamimidoylphenyl)-4-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 2-(4-carbamimidoylphenyl)-4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid Traditional Name: 2-(4-amidinophenyl)-4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazino]-4-keto-butyric acid Formula: C25H25ClN4O5S MolecularWeight: 529.0078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC(C2=CC=C(C=C2)C(=N)N)C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CC(C2=CC=C(C=C2)C(=N)N)C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C25H25ClN4O5S/c26-20-7-5-19-14-21(8-6-18(19)13-20)36(34,35)30-11-9-29(10-12-30)23(31)15-22(25(32)33)16-1-3-17(4-2-16)24(27)28/h1-8,13-14,22H,9-12,15H2,(H3,27,28)(H,32,33)