3-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-2-[(3-phenoxyphenyl)methylsulfamoylamino]propyl]benzenecarboximidamide

Systemtic Name: 3-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-2-[(3-phenoxyphenyl)methylsulfamoylamino]propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-acetylpiperazin-1-yl)-3-oxo-2-[(3-phenoxyphenyl)methylsulfamoylamino]propyl]benzamidine CAS Name: 3-[3-(4-acetyl-1-piperazinyl)-3-oxo-2-[(3-phenoxyphenyl)methylsulfamoylamino]propyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-acetylpiperazin-1-yl)-3-oxo-2-[(3-phenoxyphenyl)methylsulfamoylamino]propyl]benzenecarboximidamide Traditional Name: 3-[3-(4-acetylpiperazino)-3-keto-2-[(3-phenoxybenzyl)sulfamoylamino]propyl]benzamidine Formula: C29H34N6O5S MolecularWeight: 578.68246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)NCC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)NCC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H34N6O5S/c1-21(36)34-13-15-35(16-14-34)29(37)27(19-22-7-5-9-24(17-22)28(30)31)33-41(38,39)32-20-23-8-6-12-26(18-23)40-25-10-3-2-4-11-25/h2-12,17-18,27,32-33H,13-16,19-20H2,1H3,(H3,30,31)