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

Systemtic Name: 4-[[(R)-cyclopropyl(phenyl)methyl]amino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[[(R)-cyclopropyl(phenyl)methyl]amino]-N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-[[(R)-cyclopropyl(phenyl)methyl]amino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(R)-cyclopropyl(phenyl)methyl]amino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[[(R)-cyclopropyl(phenyl)methyl]amino]-N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide Formula: C20H25N3O5S MolecularWeight: 419.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)NC(C2CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)N[C@H](C2CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-14(13-28-2)22-29(26,27)17-10-11-18(19(12-17)23(24)25)21-20(16-8-9-16)15-6-4-3-5-7-15/h3-7,10-12,14,16,20-22H,8-9,13H2,1-2H3/t14-,20-/m0/s1