4-[4-[(2-chlorophenyl)methylamino]-3-nitro-phenyl]carbonyl-N,N-dimethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[4-[(2-chlorophenyl)methylamino]-3-nitro-phenyl]carbonyl-N,N-dimethyl-piperazine-1-sulfonamide Openeye Name: 4-[4-[(2-chlorophenyl)methylamino]-3-nitro-benzoyl]-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[[4-[(2-chlorophenyl)methylamino]-3-nitrophenyl]-oxomethyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-[4-[(2-chlorobenzyl)amino]-3-nitro-benzoyl]-N,N-dimethyl-piperazine-1-sulfonamide Formula: C20H24ClN5O5S MolecularWeight: 481.95306

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H24ClN5O5S/c1-23(2)32(30,31)25-11-9-24(10-12-25)20(27)15-7-8-18(19(13-15)26(28)29)22-14-16-5-3-4-6-17(16)21/h3-8,13,22H,9-12,14H2,1-2H3