3-azanyl-2-(1,3-benzodioxol-5-yl)-2-[4-methyl-1-(4-nitrophenyl)sulfonyl-piperidin-2-yl]propanoic acid

Systemtic Name: 3-azanyl-2-(1,3-benzodioxol-5-yl)-2-[4-methyl-1-(4-nitrophenyl)sulfonyl-piperidin-2-yl]propanoic acid Openeye Name: 3-amino-2-(1,3-benzodioxol-5-yl)-2-[4-methyl-1-(4-nitrophenyl)sulfonyl-2-piperidyl]propanoic acid CAS Name: 3-amino-2-(1,3-benzodioxol-5-yl)-2-[4-methyl-1-(4-nitrophenyl)sulfonyl-2-piperidinyl]propanoic acid IUPAC Name: 3-amino-2-(1,3-benzodioxol-5-yl)-2-[4-methyl-1-(4-nitrophenyl)sulfonylpiperidin-2-yl]propanoic acid Traditional Name: 3-amino-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-nosyl-2-piperidyl)propionic acid Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)C(CN)(C2=CC3=C(C=C2)OCO3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C(C1)C(CN)(C2=CC3=C(C=C2)OCO3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O8S/c1-14-8-9-24(34(30,31)17-5-3-16(4-6-17)25(28)29)20(10-14)22(12-23,21(26)27)15-2-7-18-19(11-15)33-13-32-18/h2-7,11,14,20H,8-10,12-13,23H2,1H3,(H,26,27)