N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl-(4-nitrophenyl)sulfonylamino]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl-(4-nitrophenyl)sulfonylamino]butanamide Traditional Name: 4-[methyl(nosyl)amino]-N-piperonyl-butyramide Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NCC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)NCC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7S/c1-21(30(26,27)16-7-5-15(6-8-16)22(24)25)10-2-3-19(23)20-12-14-4-9-17-18(11-14)29-13-28-17/h4-9,11H,2-3,10,12-13H2,1H3,(H,20,23)