1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)azocane

Systemtic Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)azocane Openeye Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)azocane CAS Name: 1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]azocane IUPAC Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)azocane Traditional Name: 1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)azocane Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O4S/c21-20(22)17-14-15(25(23,24)19-12-6-7-13-19)8-9-16(17)18-10-4-2-1-3-5-11-18/h8-9,14H,1-7,10-13H2