N-(1,3-benzodioxol-5-ylmethyl)-2-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-5-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-5-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1,1-dioxothian-4-yl)amino]-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1,1-dioxo-4-thianyl)amino]-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1,1-dioxothian-4-yl)amino]-5-nitrobenzamide Traditional Name: 2-[(1,1-diketothian-4-yl)amino]-5-nitro-N-piperonyl-benzamide Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CS(=O)(=O)CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O7S/c24-20(21-11-13-1-4-18-19(9-13)30-12-29-18)16-10-15(23(25)26)2-3-17(16)22-14-5-7-31(27,28)8-6-14/h1-4,9-10,14,22H,5-8,11-12H2,(H,21,24)