(3-methyl-4-nitro-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (3-methyl-4-nitro-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (3-methyl-4-nitro-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: (3-methyl-4-nitrophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (3-methyl-4-nitrophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-(3-methyl-4-nitro-phenyl)methanone Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5S/c1-11-10-12(4-5-13(11)17(19)20)14(18)15-6-3-7-16(9-8-15)23(2,21)22/h4-5,10H,3,6-9H2,1-2H3