4-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[3-nitro-4-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]phenyl]sulfonylmorpholine CAS Name: 4-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-3-nitro-phenyl]sulfonylmorpholine Formula: C23H30N4O5S MolecularWeight: 474.5731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O5S/c1-19-3-5-20(6-4-19)18-24-9-2-10-25(12-11-24)22-8-7-21(17-23(22)27(28)29)33(30,31)26-13-15-32-16-14-26/h3-8,17H,2,9-16,18H2,1H3