N,N-diethyl-4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-3-nitro-benzenesulfonamide Formula: C23H32N4O4S MolecularWeight: 460.58958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O4S/c1-4-26(5-2)32(30,31)21-11-12-22(23(17-21)27(28)29)25-14-6-13-24(15-16-25)18-20-9-7-19(3)8-10-20/h7-12,17H,4-6,13-16,18H2,1-3H3