N,N-dimethyl-4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazine-1-sulfonamide

Systemtic Name: N,N-dimethyl-4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazine-1-sulfonamide Openeye Name: 4-[3-(benzylamino)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: N,N-dimethyl-4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinesulfonamide IUPAC Name: 4-[3-(benzylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-[3-(benzylamino)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O4S/c1-21(2)29(27,28)23-12-10-22(11-13-23)17-8-9-19(24(25)26)18(14-17)20-15-16-6-4-3-5-7-16/h3-9,14,20H,10-13,15H2,1-2H3