(4-methylsulfonyl-1,4-diazepan-1-yl)-(4-nitrophenyl)methanone

Systemtic Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(4-nitrophenyl)methanone Openeye Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(4-nitrophenyl)methanone CAS Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(4-nitrophenyl)methanone IUPAC Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(4-nitrophenyl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-(4-nitrophenyl)methanone Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-22(20,21)15-8-2-7-14(9-10-15)13(17)11-3-5-12(6-4-11)16(18)19/h3-6H,2,7-10H2,1H3