methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-yl-phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-yl-phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-(1-piperidyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-(1-piperidinyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidino-phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C27H28N4O8S MolecularWeight: 568.59822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)N4CCCCC4

InChI

InChI=1S/C27H28N4O8S/c1-38-24-9-5-4-8-22(24)29-40(36,37)25-17-20(10-11-23(25)30-12-6-3-7-13-30)28-26(32)18-14-19(27(33)39-2)16-21(15-18)31(34)35/h4-5,8-11,14-17,29H,3,6-7,12-13H2,1-2H3,(H,28,32)