N-tert-butyl-4-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[(6-imidazol-1-yl-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[6-(1-imidazolyl)-3-pyridinyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[(6-imidazol-1-yl-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide Formula: C19H22N6O4S MolecularWeight: 430.48078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CN=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CN=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O4S/c1-19(2,3)23-30(28,29)15-5-6-16(17(10-15)25(26)27)21-11-14-4-7-18(22-12-14)24-9-8-20-13-24/h4-10,12-13,21,23H,11H2,1-3H3