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

Systemtic Name: 3-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-2-[[1-(phenylmethyl)pyrrolidin-2-yl]methylsulfamoylamino]propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-acetylpiperazin-1-yl)-2-[(1-benzylpyrrolidin-2-yl)methylsulfamoylamino]-3-oxo-propyl]benzamidine CAS Name: 3-[3-(4-acetyl-1-piperazinyl)-3-oxo-2-[[1-(phenylmethyl)-2-pyrrolidinyl]methylsulfamoylamino]propyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-acetylpiperazin-1-yl)-2-[(1-benzylpyrrolidin-2-yl)methylsulfamoylamino]-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-acetylpiperazino)-2-[(1-benzylpyrrolidin-2-yl)methylsulfamoylamino]-3-keto-propyl]benzamidine Formula: C28H39N7O4S MolecularWeight: 569.71876

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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)NCC3CCCN3CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)NCC3CCCN3CC4=CC=CC=C4

InChI

InChI=1S/C28H39N7O4S/c1-21(36)33-13-15-34(16-14-33)28(37)26(18-23-9-5-10-24(17-23)27(29)30)32-40(38,39)31-19-25-11-6-12-35(25)20-22-7-3-2-4-8-22/h2-5,7-10,17,25-26,31-32H,6,11-16,18-20H2,1H3,(H3,29,30)