N-tert-butyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[methyl(3-pyridylmethyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[methyl(3-pyridinylmethyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[methyl(3-pyridylmethyl)amino]-3-nitro-benzenesulfonamide Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S/c1-17(2,3)19-26(24,25)14-7-8-15(16(10-14)21(22)23)20(4)12-13-6-5-9-18-11-13/h5-11,19H,12H2,1-4H3