N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-piperidinosulfonyl-benzamide Formula: C20H20N4O7S MolecularWeight: 460.4604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H20N4O7S/c25-20(14-5-4-6-16(9-14)32(28,29)23-7-2-1-3-8-23)22-21-12-15-10-18-19(31-13-30-18)11-17(15)24(26)27/h4-6,9-12H,1-3,7-8,13H2,(H,22,25)