4-[[2-(dimethylamino)pyridin-4-yl]methylamino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[2-(dimethylamino)pyridin-4-yl]methylamino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[[2-(dimethylamino)-4-pyridyl]methylamino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-[[2-(dimethylamino)-4-pyridinyl]methylamino]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[[2-(dimethylamino)pyridin-4-yl]methylamino]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[[2-(dimethylamino)-4-pyridyl]methylamino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=NC=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=NC=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O4S/c1-15-4-6-17(7-5-15)24-31(29,30)18-8-9-19(20(13-18)26(27)28)23-14-16-10-11-22-21(12-16)25(2)3/h8-13,15,17,23-24H,4-7,14H2,1-3H3