N-[(2R)-1-methoxypropan-2-yl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-1-methoxypropan-2-yl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzenesulfonamide Openeye Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-4-(p-tolylsulfanyl)benzenesulfonamide CAS Name: N-[(2R)-1-methoxypropan-2-yl]-4-[(4-methylphenyl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-1-methoxypropan-2-yl]-4-(4-methylphenyl)sulfanyl-3-nitrobenzenesulfonamide Traditional Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-4-(p-tolylthio)benzenesulfonamide Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)NC(C)COC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)N[C@H](C)COC)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O5S2/c1-12-4-6-14(7-5-12)25-17-9-8-15(10-16(17)19(20)21)26(22,23)18-13(2)11-24-3/h4-10,13,18H,11H2,1-3H3/t13-/m1/s1