methyl 4-[4-(4-carbamimidoylphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[4-(4-carbamimidoylphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-(4-carbamimidoylbenzoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(4-carbamimidoylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-carbamimidoylbenzoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(4-amidinobenzoyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c1-29-20(26)16-6-8-17(9-7-16)30(27,28)24-12-10-23(11-13-24)19(25)15-4-2-14(3-5-15)18(21)22/h2-9H,10-13H2,1H3,(H3,21,22)