1-(4-methylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-[(4-nitrophenyl)methyl]-4-(p-tolylsulfonyl)-1,4-diazepan-1-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-(4-nitrobenzyl)-4-tosyl-1,4-diazepan-1-ium Formula: C19H24N3O4S+ MolecularWeight: 390.47656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c1-16-3-9-19(10-4-16)27(25,26)21-12-2-11-20(13-14-21)15-17-5-7-18(8-6-17)22(23)24/h3-10H,2,11-15H2,1H3/p+1