4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylamino]-3-nitro-benzenesulfonamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-3-26-17-7-12-6-11(2)27-18(12)8-13(17)10-20-15-5-4-14(28(19,24)25)9-16(15)21(22)23/h4-5,7-9,11,20H,3,6,10H2,1-2H3,(H2,19,24,25)/t11-/m0/s1