N-(2-dimethylaminoethyl)-3-nitro-4-(3-oxidanylidenepiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-nitro-4-(3-oxidanylidenepiperazin-1-yl)benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-3-nitro-4-(3-oxopiperazin-1-yl)benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-3-nitro-4-(3-oxo-1-piperazinyl)benzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-3-nitro-4-(3-oxopiperazin-1-yl)benzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-(3-ketopiperazino)-3-nitro-benzenesulfonamide Formula: C14H21N5O5S MolecularWeight: 371.41204

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCNC(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCNC(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N5O5S/c1-17(2)7-6-16-25(23,24)11-3-4-12(13(9-11)19(21)22)18-8-5-15-14(20)10-18/h3-4,9,16H,5-8,10H2,1-2H3,(H,15,20)