7-[[6-[(1-ethanimidoylpiperidin-4-yl)sulfonylamino]-2-propan-2-yl-benzimidazol-1-yl]methyl]-N'-oxidanyl-naphthalene-2-carboximidamide

Systemtic Name: 7-[[6-[(1-ethanimidoylpiperidin-4-yl)sulfonylamino]-2-propan-2-yl-benzimidazol-1-yl]methyl]-N'-oxidanyl-naphthalene-2-carboximidamide Openeye Name: 7-[[6-[(1-ethanimidoyl-4-piperidyl)sulfonylamino]-2-isopropyl-benzimidazol-1-yl]methyl]-N'-hydroxy-naphthalene-2-carboxamidine CAS Name: N'-hydroxy-7-[[6-[[1-(1-iminoethyl)-4-piperidinyl]sulfonylamino]-2-propan-2-yl-1-benzimidazolyl]methyl]-2-naphthalenecarboximidamide IUPAC Name: 7-[[6-[(1-ethanimidoylpiperidin-4-yl)sulfonylamino]-2-propan-2-ylbenzimidazol-1-yl]methyl]-N'-hydroxynaphthalene-2-carboximidamide Traditional Name: 7-[[6-[(1-acetimidoyl-4-piperidyl)sulfonylamino]-2-isopropyl-benzimidazol-1-yl]methyl]-N'-hydroxy-2-naphthamidine Formula: C29H35N7O3S MolecularWeight: 561.6983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=NO)N)C=C(C=C2)NS(=O)(=O)C5CCN(CC5)C(=N)C

Isomeric SMILES

CC(C)C1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)/C(=N\O)/N)C=C(C=C2)NS(=O)(=O)C5CCN(CC5)C(=N)C

InChI

InChI=1S/C29H35N7O3S/c1-18(2)29-32-26-9-8-24(34-40(38,39)25-10-12-35(13-11-25)19(3)30)16-27(26)36(29)17-20-4-5-21-6-7-22(28(31)33-37)15-23(21)14-20/h4-9,14-16,18,25,30,34,37H,10-13,17H2,1-3H3,(H2,31,33)