methyl 2-(4-carbamimidoylphenyl)-4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 2-(4-carbamimidoylphenyl)-4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 2-(4-carbamimidoylphenyl)-4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 2-(4-carbamimidoylphenyl)-4-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(4-carbamimidoylphenyl)-4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutanoate Traditional Name: 2-(4-amidinophenyl)-4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazino]-4-keto-butyric acid methyl ester Formula: C26H27ClN4O5S MolecularWeight: 543.03438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H27ClN4O5S/c1-36-26(33)23(17-2-4-18(5-3-17)25(28)29)16-24(32)30-10-12-31(13-11-30)37(34,35)22-9-7-19-14-21(27)8-6-20(19)15-22/h2-9,14-15,23H,10-13,16H2,1H3,(H3,28,29)