3-[3-(4-ethanoylpiperazin-1-yl)-2-(oxan-2-ylmethylsulfamoylamino)-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[3-(4-ethanoylpiperazin-1-yl)-2-(oxan-2-ylmethylsulfamoylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-acetylpiperazin-1-yl)-3-oxo-2-(tetrahydropyran-2-ylmethylsulfamoylamino)propyl]benzamidine CAS Name: 3-[3-(4-acetyl-1-piperazinyl)-2-(2-oxanylmethylsulfamoylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-acetylpiperazin-1-yl)-2-(oxan-2-ylmethylsulfamoylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-acetylpiperazino)-3-keto-2-(tetrahydropyran-2-ylmethylsulfamoylamino)propyl]benzamidine Formula: C22H34N6O5S MolecularWeight: 494.60756

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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)NCC3CCCCO3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)NCC3CCCCO3

InChI

InChI=1S/C22H34N6O5S/c1-16(29)27-8-10-28(11-9-27)22(30)20(14-17-5-4-6-18(13-17)21(23)24)26-34(31,32)25-15-19-7-2-3-12-33-19/h4-6,13,19-20,25-26H,2-3,7-12,14-15H2,1H3,(H3,23,24)