4-[(4-methoxyphenyl)methylamino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4-methoxyphenyl)methylamino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-4-[(4-methoxyphenyl)methylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[(4-methoxyphenyl)methylamino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4-methoxyphenyl)methylamino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-4-(p-anisylamino)benzenesulfonamide Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O6S/c1-13(12-26-2)20-28(24,25)16-8-9-17(18(10-16)21(22)23)19-11-14-4-6-15(27-3)7-5-14/h4-10,13,19-20H,11-12H2,1-3H3/t13-/m1/s1