N-(1,3-benzodioxol-5-ylmethyl)-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: (4-morpholinosulfonyl-2-nitro-phenyl)-piperonyl-amine Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7S/c22-21(23)16-10-14(29(24,25)20-5-7-26-8-6-20)2-3-15(16)19-11-13-1-4-17-18(9-13)28-12-27-17/h1-4,9-10,19H,5-8,11-12H2