1-[4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[3-nitro-4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[3-nitro-4-(4-tosyl-1,4-diazepan-1-yl)phenyl]ethanone Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-15-4-7-18(8-5-15)29(27,28)22-11-3-10-21(12-13-22)19-9-6-17(16(2)24)14-20(19)23(25)26/h4-9,14H,3,10-13H2,1-2H3