1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 2-(2-nitrophenoxy)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 2-(2-nitrophenoxy)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-16-7-9-17(10-8-16)30(27,28)22-12-4-11-21(13-14-22)20(24)15-29-19-6-3-2-5-18(19)23(25)26/h2-3,5-10H,4,11-15H2,1H3