N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H23N3O7S/c1-21(13-16-14-29-18-4-2-3-5-19(18)30-16)17-7-6-15(23(24)25)12-20(17)31(26,27)22-8-10-28-11-9-22/h2-7,12,16H,8-11,13-14H2,1H3/t16-/m0/s1