N-(2-dimethylaminoethyl)-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-3-nitro-benzenesulfonamide Formula: C22H30FN5O4S MolecularWeight: 479.568103

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)CC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)CC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H30FN5O4S/c1-25(2)13-10-24-33(31,32)20-8-9-21(22(16-20)28(29)30)27-12-3-11-26(14-15-27)17-18-4-6-19(23)7-5-18/h4-9,16,24H,3,10-15,17H2,1-2H3