N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(4-ethanimidoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(4-ethanimidoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(4-ethanimidoylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-[[4-(1-iminoethyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(4-ethanimidoylpiperazin-1-yl)sulfonylbenzamide Traditional Name: 4-(4-acetimidoylpiperazino)sulfonyl-N-[2-(3-amidinophenoxy)ethyl]benzamide Formula: C22H28N6O4S MolecularWeight: 472.56052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCOC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(=N)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCOC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C22H28N6O4S/c1-16(23)27-10-12-28(13-11-27)33(30,31)20-7-5-17(6-8-20)22(29)26-9-14-32-19-4-2-3-18(15-19)21(24)25/h2-8,15,23H,9-14H2,1H3,(H3,24,25)(H,26,29)