N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3COC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3COC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c24-23(25)18-12-16(30(26,27)22-10-4-1-5-11-22)8-9-17(18)21-13-15-14-28-19-6-2-3-7-20(19)29-15/h2-3,6-9,12,15,21H,1,4-5,10-11,13-14H2