2-[(4-carbamimidoylphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonyl-amino]ethanoic acid Openeye Name: 2-(4-carbamimidoyl-N-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]anilino)acetic acid CAS Name: 2-(4-carbamimidoyl-N-[oxo-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]anilino)acetic acid IUPAC Name: 2-(4-carbamimidoyl-N-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]anilino)acetic acid Traditional Name: 2-(4-amidino-N-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]anilino)acetic acid Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)N(CC(=O)O)C2=CC=C(C=C2)C(=N)N)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)N(CC(=O)O)C2=CC=C(C=C2)C(=N)N)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O5S/c23-21(24)18-6-8-19(9-7-18)27(16-20(28)29)22(30)25-11-13-26(14-12-25)33(31,32)15-10-17-4-2-1-3-5-17/h1-10,15H,11-14,16H2,(H3,23,24)(H,28,29)/b15-10+