1-[(2-methoxy-5-nitro-phenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-[(2-methoxy-5-nitrophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[(2-methoxy-5-nitrophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(2-methoxy-5-nitro-benzyl)-4-tosyl-1,4-diazepane Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H25N3O5S/c1-16-4-7-19(8-5-16)29(26,27)22-11-3-10-21(12-13-22)15-17-14-18(23(24)25)6-9-20(17)28-2/h4-9,14H,3,10-13,15H2,1-2H3