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

Systemtic Name: N,N-dimethyl-4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-3-nitro-benzenesulfonamide Openeye Name: N,N-dimethyl-3-nitro-4-[[4-(p-tolylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide CAS Name: N,N-dimethyl-4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-dimethyl-4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-3-nitrobenzenesulfonamide Traditional Name: N,N-dimethyl-4-[[4-(4-methylbenzyl)-1,4-diazepan-1-yl]sulfonyl]-3-nitro-benzenesulfonamide Formula: C21H28N4O6S2 MolecularWeight: 496.60022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O6S2/c1-17-5-7-18(8-6-17)16-23-11-4-12-24(14-13-23)33(30,31)21-10-9-19(15-20(21)25(26)27)32(28,29)22(2)3/h5-10,15H,4,11-14,16H2,1-3H3