2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline

Systemtic Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline Openeye Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline CAS Name: 2-nitro-4-(1-pyrrolidinylsulfonyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline IUPAC Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-[2-(1,2,4-triazol-1-yl)ethyl]amine Formula: C14H18N6O4S MolecularWeight: 366.39552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCN3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCN3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O4S/c21-20(22)14-9-12(25(23,24)19-6-1-2-7-19)3-4-13(14)16-5-8-18-11-15-10-17-18/h3-4,9-11,16H,1-2,5-8H2