N-[4-[4-(4-carbamimidoylphenyl)carbonylpiperazin-1-yl]sulfonyl-2-chloranyl-phenyl]ethanamide

Systemtic Name: N-[4-[4-(4-carbamimidoylphenyl)carbonylpiperazin-1-yl]sulfonyl-2-chloranyl-phenyl]ethanamide Openeye Name: N-[4-[4-(4-carbamimidoylbenzoyl)piperazin-1-yl]sulfonyl-2-chloro-phenyl]acetamide CAS Name: N-[4-[[4-[(4-carbamimidoylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-chlorophenyl]acetamide IUPAC Name: N-[4-[4-(4-carbamimidoylbenzoyl)piperazin-1-yl]sulfonyl-2-chlorophenyl]acetamide Traditional Name: N-[4-[4-(4-amidinobenzoyl)piperazino]sulfonyl-2-chloro-phenyl]acetamide Formula: C20H22ClN5O4S MolecularWeight: 463.93778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N)Cl

InChI

InChI=1S/C20H22ClN5O4S/c1-13(27)24-18-7-6-16(12-17(18)21)31(29,30)26-10-8-25(9-11-26)20(28)15-4-2-14(3-5-15)19(22)23/h2-7,12H,8-11H2,1H3,(H3,22,23)(H,24,27)