3-[3-(4-ethanoylpiperazin-1-yl)-2-[(3-methoxy-2-oxidanyl-phenyl)methylsulfamoylamino]-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[3-(4-ethanoylpiperazin-1-yl)-2-[(3-methoxy-2-oxidanyl-phenyl)methylsulfamoylamino]-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-3-methoxy-phenyl)methylsulfamoylamino]-3-oxo-propyl]benzamidine CAS Name: 3-[3-(4-acetyl-1-piperazinyl)-2-[(2-hydroxy-3-methoxyphenyl)methylsulfamoylamino]-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-3-methoxyphenyl)methylsulfamoylamino]-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-acetylpiperazino)-2-[(2-hydroxy-3-methoxy-benzyl)sulfamoylamino]-3-keto-propyl]benzamidine Formula: C24H32N6O6S MolecularWeight: 532.61248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N6O6S/c1-16(31)29-9-11-30(12-10-29)24(33)20(14-17-5-3-6-18(13-17)23(25)26)28-37(34,35)27-15-19-7-4-8-21(36-2)22(19)32/h3-8,13,20,27-28,32H,9-12,14-15H2,1-2H3,(H3,25,26)