methyl 2-(4-carbamimidoylphenyl)-2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(4-carbamimidoylphenyl)-2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-carbamimidoylphenyl)-2-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]acetate CAS Name: 2-(4-carbamimidoylphenyl)-2-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-carbamimidoylphenyl)-2-[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]acetate Traditional Name: 2-(4-amidinophenyl)-2-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]acetic acid methyl ester Formula: C24H23ClN4O5S MolecularWeight: 514.98122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)C(=N)N)N2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)C(=N)N)N2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C24H23ClN4O5S/c1-34-24(31)22(15-2-4-16(5-3-15)23(26)27)29-11-10-28(14-21(29)30)35(32,33)20-9-7-17-12-19(25)8-6-18(17)13-20/h2-9,12-13,22H,10-11,14H2,1H3,(H3,26,27)