N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]indane-5-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-carboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]indane-5-carboxamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC3=C(CCC3)C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC3=C(CCC3)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-28(26,27)16-7-8-17(18(12-16)22(24)25)20-9-10-21-19(23)15-6-5-13-3-2-4-14(13)11-15/h5-8,11-12,20H,2-4,9-10H2,1H3,(H,21,23)