4-[[1-(dimethylamino)cycloheptyl]methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[1-(dimethylamino)cycloheptyl]methylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[1-(dimethylamino)cycloheptyl]methylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[[1-(dimethylamino)cycloheptyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[1-(dimethylamino)cycloheptyl]methylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[1-(dimethylamino)cycloheptyl]methylamino]-3-nitro-benzenesulfonamide Formula: C16H26N4O4S MolecularWeight: 370.46704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCCCC1)CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1(CCCCCC1)CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H26N4O4S/c1-19(2)16(9-5-3-4-6-10-16)12-18-14-8-7-13(25(17,23)24)11-15(14)20(21)22/h7-8,11,18H,3-6,9-10,12H2,1-2H3,(H2,17,23,24)