1-[3-nitro-4-(phenylsulfonyl)phenyl]-1,4-diazepane

Systemtic Name: 1-[3-nitro-4-(phenylsulfonyl)phenyl]-1,4-diazepane Openeye Name: 1-[4-(benzenesulfonyl)-3-nitro-phenyl]-1,4-diazepane CAS Name: 1-[4-(benzenesulfonyl)-3-nitrophenyl]-1,4-diazepane IUPAC Name: 1-[4-(benzenesulfonyl)-3-nitrophenyl]-1,4-diazepane Traditional Name: 1-(4-besyl-3-nitro-phenyl)-1,4-diazepane Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S/c21-20(22)16-13-14(19-11-4-9-18-10-12-19)7-8-17(16)25(23,24)15-5-2-1-3-6-15/h1-3,5-8,13,18H,4,9-12H2