2-[[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]sulfonylamino]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]sulfonylamino]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[(4-isobutylsulfanyl-3-nitro-phenyl)sulfonylamino]acetamide CAS Name: 2-[[4-(2-methylpropylthio)-3-nitrophenyl]sulfonylamino]-N-prop-2-enylacetamide IUPAC Name: 2-[[4-(2-methylpropylsulfanyl)-3-nitrophenyl]sulfonylamino]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[4-(isobutylthio)-3-nitro-phenyl]sulfonylamino]acetamide Formula: C15H21N3O5S2 MolecularWeight: 387.47434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O5S2/c1-4-7-16-15(19)9-17-25(22,23)12-5-6-14(24-10-11(2)3)13(8-12)18(20)21/h4-6,8,11,17H,1,7,9-10H2,2-3H3,(H,16,19)