N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-N'-pyrazin-2-yl-ethane-1,2-diamine

Systemtic Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-N'-pyrazin-2-yl-ethane-1,2-diamine Openeye Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-N'-pyrazin-2-yl-ethane-1,2-diamine CAS Name: N-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-N'-(2-pyrazinyl)ethane-1,2-diamine IUPAC Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-N'-pyrazin-2-ylethane-1,2-diamine Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-anilino)ethyl-pyrazin-2-yl-amine Formula: C16H20N6O4S MolecularWeight: 392.4328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC3=NC=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC3=NC=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O4S/c23-22(24)15-11-13(27(25,26)21-9-1-2-10-21)3-4-14(15)18-7-8-20-16-12-17-5-6-19-16/h3-6,11-12,18H,1-2,7-10H2,(H,19,20)