4-[(2-fluorophenyl)methyl-methyl-amino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(2-fluorophenyl)methyl-methyl-amino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(2-fluorophenyl)methyl-methyl-amino]-N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-[(2-fluorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2-fluorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(2-fluorobenzyl)-methyl-amino]-N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide Formula: C18H22FN3O5S MolecularWeight: 411.447783

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

C[C@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C18H22FN3O5S/c1-13(12-27-3)20-28(25,26)15-8-9-17(18(10-15)22(23)24)21(2)11-14-6-4-5-7-16(14)19/h4-10,13,20H,11-12H2,1-3H3/t13-/m1/s1