N-(4-methylcyclohexyl)-3-nitro-4-(3-oxidanylidenepiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-3-nitro-4-(3-oxidanylidenepiperazin-1-yl)benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-3-nitro-4-(3-oxopiperazin-1-yl)benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-3-nitro-4-(3-oxo-1-piperazinyl)benzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-3-nitro-4-(3-oxopiperazin-1-yl)benzenesulfonamide Traditional Name: 4-(3-ketopiperazino)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O5S/c1-12-2-4-13(5-3-12)19-27(25,26)14-6-7-15(16(10-14)21(23)24)20-9-8-18-17(22)11-20/h6-7,10,12-13,19H,2-5,8-9,11H2,1H3,(H,18,22)