methyl 3-nitro-5-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)carbonyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)carbonyl]benzoate Openeye Name: methyl 3-nitro-5-[5-(1-piperidylsulfonyl)indoline-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[5-(1-piperidinylsulfonyl)-2,3-dihydroindol-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzoate Traditional Name: 3-nitro-5-(5-piperidinosulfonylindoline-1-carbonyl)benzoic acid methyl ester Formula: C22H23N3O7S MolecularWeight: 473.49892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O7S/c1-32-22(27)17-11-16(12-18(13-17)25(28)29)21(26)24-10-7-15-14-19(5-6-20(15)24)33(30,31)23-8-3-2-4-9-23/h5-6,11-14H,2-4,7-10H2,1H3