7-[4-(4-carbamimidoylphenyl)sulfonyl-3-oxidanylidene-piperazin-1-yl]naphthalene-2-carboximidamide

Systemtic Name: 7-[4-(4-carbamimidoylphenyl)sulfonyl-3-oxidanylidene-piperazin-1-yl]naphthalene-2-carboximidamide Openeye Name: 7-[4-(4-carbamimidoylphenyl)sulfonyl-3-oxo-piperazin-1-yl]naphthalene-2-carboxamidine CAS Name: 7-[4-(4-carbamimidoylphenyl)sulfonyl-3-oxo-1-piperazinyl]-2-naphthalenecarboximidamide IUPAC Name: 7-[4-(4-carbamimidoylphenyl)sulfonyl-3-oxopiperazin-1-yl]naphthalene-2-carboximidamide Traditional Name: 7-[4-(4-amidinophenyl)sulfonyl-3-keto-piperazino]-2-naphthamidine Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC3=C(C=CC(=C3)C(=N)N)C=C2)S(=O)(=O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CN(C(=O)CN1C2=CC3=C(C=CC(=C3)C(=N)N)C=C2)S(=O)(=O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C22H22N6O3S/c23-21(24)15-4-7-19(8-5-15)32(30,31)28-10-9-27(13-20(28)29)18-6-3-14-1-2-16(22(25)26)11-17(14)12-18/h1-8,11-12H,9-10,13H2,(H3,23,24)(H3,25,26)