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

Systemtic Name: 4-[(3-chlorophenyl)methylamino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(3-chlorophenyl)methylamino]-N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-[(3-chlorophenyl)methylamino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(3-chlorophenyl)methylamino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(3-chlorobenzyl)amino]-N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide Formula: C17H20ClN3O5S MolecularWeight: 413.8758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O5S/c1-12(11-26-2)20-27(24,25)15-6-7-16(17(9-15)21(22)23)19-10-13-4-3-5-14(18)8-13/h3-9,12,19-20H,10-11H2,1-2H3/t12-/m1/s1