(NE)-N-[(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-phenyl-methylidene]hydroxylamine

Systemtic Name: (NE)-N-[(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-phenyl-methylidene]hydroxylamine Openeye Name: (2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-phenyl-methanone oxime CAS Name: (2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-phenylmethanone oxime IUPAC Name: (NE)-N-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-phenylmethylidene]hydroxylamine Traditional Name: (2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-phenyl-methanone oxime Formula: C34H36N8O6S2 MolecularWeight: 716.82964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=NO)C3=CC=CC=C3)N=C1N.CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=NO)C3=CC=CC=C3)N=C1N

Isomeric SMILES

CC(S(=O)(=O)N1C(=NC2=C1C=C(C=C2)/C(=N/O)/C3=CC=CC=C3)N)C.CC(S(=O)(=O)N1C(=NC2=C1C=C(C=C2)/C(=N/O)/C3=CC=CC=C3)N)C

InChI

InChI=1S/2C17H18N4O3S/c2*1-11(2)25(23,24)21-15-10-13(8-9-14(15)19-17(21)18)16(20-22)12-6-4-3-5-7-12/h2*3-11,22H,1-2H3,(H2,18,19)/b2*20-16+