4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(1R)-1-(2-benzofuranyl)ethyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC(C)C2=CC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2O1)NC3=C(C=C(C=C3)S(=O)(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-12(2)21-28(25,26)15-8-9-16(17(11-15)22(23)24)20-13(3)19-10-14-6-4-5-7-18(14)27-19/h4-13,20-21H,1-3H3/t13-/m1/s1