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

Systemtic Name: 3-[2-[(3-bromanylnaphthalen-1-yl)methylsulfamoylamino]-3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-acetylpiperazin-1-yl)-2-[(3-bromo-1-naphthyl)methylsulfamoylamino]-3-oxo-propyl]benzamidine CAS Name: 3-[3-(4-acetyl-1-piperazinyl)-2-[(3-bromo-1-naphthalenyl)methylsulfamoylamino]-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-acetylpiperazin-1-yl)-2-[(3-bromonaphthalen-1-yl)methylsulfamoylamino]-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-acetylpiperazino)-2-[(3-bromo-1-naphthyl)methylsulfamoylamino]-3-keto-propyl]benzamidine Formula: C27H31BrN6O4S MolecularWeight: 615.54184

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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(=CC4=CC=CC=C43)Br

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)NCC3=CC(=CC4=CC=CC=C43)Br

InChI

InChI=1S/C27H31BrN6O4S/c1-18(35)33-9-11-34(12-10-33)27(36)25(14-19-5-4-7-21(13-19)26(29)30)32-39(37,38)31-17-22-16-23(28)15-20-6-2-3-8-24(20)22/h2-8,13,15-16,25,31-32H,9-12,14,17H2,1H3,(H3,29,30)