N-(3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)-N-(pyridin-4-ylmethyl)methanesulfonamide

Systemtic Name: N-(3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)-N-(pyridin-4-ylmethyl)methanesulfonamide Openeye Name: N-(3,3-dimethyl-6-nitro-indan-1-yl)-N-(4-pyridylmethyl)methanesulfonamide CAS Name: N-(3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)-N-(pyridin-4-ylmethyl)methanesulfonamide IUPAC Name: N-(3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)-N-(pyridin-4-ylmethyl)methanesulfonamide Traditional Name: N-(3,3-dimethyl-6-nitro-indan-1-yl)-N-(4-pyridylmethyl)methanesulfonamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C1C=CC(=C2)[N+](=O)[O-])N(CC3=CC=NC=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1(CC(C2=C1C=CC(=C2)[N+](=O)[O-])N(CC3=CC=NC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C18H21N3O4S/c1-18(2)11-17(15-10-14(21(22)23)4-5-16(15)18)20(26(3,24)25)12-13-6-8-19-9-7-13/h4-10,17H,11-12H2,1-3H3