4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[[(1R)-3-(2-furyl)-1-methyl-propyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(2R)-4-(2-furanyl)butan-2-yl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[[(1R)-3-(2-furyl)-1-methyl-propyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC(C)CCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CO1)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O5S/c1-12(2)19-26(23,24)15-8-9-16(17(11-15)20(21)22)18-13(3)6-7-14-5-4-10-25-14/h4-5,8-13,18-19H,6-7H2,1-3H3/t13-/m1/s1