N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-1,3-benzodioxol-5-amine

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-1,3-benzodioxol-5-amine Openeye Name: N-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]-1,3-benzodioxol-5-amine CAS Name: N-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1,3-benzodioxol-5-amine IUPAC Name: N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]-1,3-benzodioxol-5-amine Traditional Name: 1,3-benzodioxol-5-yl-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-13-6-8-21(9-7-13)29(25,26)15-3-4-16(17(11-15)22(23)24)20-14-2-5-18-19(10-14)28-12-27-18/h2-5,10-11,13,20H,6-9,12H2,1H3