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

Systemtic Name: 1-carbamimidoyl-1-[4-[[4-(chloromethylsulfonyl)-2-nitro-phenyl]amino]phenyl]guanidine Openeye Name: 1-carbamimidoyl-1-[4-[4-(chloromethylsulfonyl)-2-nitro-anilino]phenyl]guanidine CAS Name: 1-carbamimidoyl-1-[4-[4-(chloromethylsulfonyl)-2-nitroanilino]phenyl]guanidine IUPAC Name: 1-carbamimidoyl-1-[4-[4-(chloromethylsulfonyl)-2-nitroanilino]phenyl]guanidine Traditional Name: 1-amidino-1-[4-[4-(chloromethylsulfonyl)-2-nitro-anilino]phenyl]guanidine Formula: C15H16ClN7O4S MolecularWeight: 425.85004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)CCl)[N+](=O)[O-])N(C(=N)N)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)CCl)[N+](=O)[O-])N(C(=N)N)C(=N)N

InChI

InChI=1S/C15H16ClN7O4S/c16-8-28(26,27)11-5-6-12(13(7-11)23(24)25)21-9-1-3-10(4-2-9)22(14(17)18)15(19)20/h1-7,21H,8H2,(H3,17,18)(H3,19,20)