N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]sulfonylamino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]sulfonylamino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-isobutylsulfanyl-3-nitro-phenyl)sulfonylamino]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-methylpropylthio)-3-nitrophenyl]sulfonylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-methylpropylsulfanyl)-3-nitrophenyl]sulfonylamino]acetamide Traditional Name: 2-[[4-(isobutylthio)-3-nitro-phenyl]sulfonylamino]-N-piperonyl-acetamide Formula: C20H23N3O7S2 MolecularWeight: 481.54252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7S2/c1-13(2)11-31-19-6-4-15(8-16(19)23(25)26)32(27,28)22-10-20(24)21-9-14-3-5-17-18(7-14)30-12-29-17/h3-8,13,22H,9-12H2,1-2H3,(H,21,24)