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

Systemtic Name: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-[(phenylmethyl)amino]benzenesulfonamide Openeye Name: 4-(benzylamino)-N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-[(phenylmethyl)amino]benzenesulfonamide IUPAC Name: 4-(benzylamino)-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-(benzylamino)-N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide Formula: C17H21N3O5S MolecularWeight: 379.43074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-13(12-25-2)19-26(23,24)15-8-9-16(17(10-15)20(21)22)18-11-14-6-4-3-5-7-14/h3-10,13,18-19H,11-12H2,1-2H3/t13-/m1/s1