N,N-dimethyl-4-(3-nitro-4-phenylazanyl-phenyl)carbonyl-piperazine-1-sulfonamide

Systemtic Name: N,N-dimethyl-4-(3-nitro-4-phenylazanyl-phenyl)carbonyl-piperazine-1-sulfonamide Openeye Name: 4-(4-anilino-3-nitro-benzoyl)-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[(4-anilino-3-nitrophenyl)-oxomethyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-(4-anilino-3-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-(4-anilino-3-nitro-benzoyl)-N,N-dimethyl-piperazine-1-sulfonamide Formula: C19H23N5O5S MolecularWeight: 433.48142

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O5S/c1-21(2)30(28,29)23-12-10-22(11-13-23)19(25)15-8-9-17(18(14-15)24(26)27)20-16-6-4-3-5-7-16/h3-9,14,20H,10-13H2,1-2H3