1-carbamimidoyl-1-[4-[4-(chloromethylsulfonyl)-2-nitro-phenoxy]phenyl]guanidine hydrochloride

Systemtic Name: 1-carbamimidoyl-1-[4-[4-(chloromethylsulfonyl)-2-nitro-phenoxy]phenyl]guanidine hydrochloride Openeye Name: 1-carbamimidoyl-1-[4-[4-(chloromethylsulfonyl)-2-nitro-phenoxy]phenyl]guanidine hydrochloride CAS Name: 1-carbamimidoyl-1-[4-[4-(chloromethylsulfonyl)-2-nitrophenoxy]phenyl]guanidine hydrochloride IUPAC Name: 1-carbamimidoyl-1-[4-[4-(chloromethylsulfonyl)-2-nitrophenoxy]phenyl]guanidine hydrochloride Traditional Name: 1-amidino-1-[4-[4-(chloromethylsulfonyl)-2-nitro-phenoxy]phenyl]guanidine hydrochloride Formula: C15H16Cl2N6O5S MolecularWeight: 463.29574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(C(=N)N)C(=N)N)OC2=C(C=C(C=C2)S(=O)(=O)CCl)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC(=CC=C1N(C(=N)N)C(=N)N)OC2=C(C=C(C=C2)S(=O)(=O)CCl)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H15ClN6O5S.ClH/c16-8-28(25,26)11-5-6-13(12(7-11)22(23)24)27-10-3-1-9(2-4-10)21(14(17)18)15(19)20;/h1-7H,8H2,(H3,17,18)(H3,19,20);1H