N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-3-nitro-benzamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-3-nitro-benzamide Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidyl]-3-nitro-benzamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-3-nitrobenzamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-3-nitrobenzamide Traditional Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidyl]-3-nitro-benzamide Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

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