[2-oxidanylidene-2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino]ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino]ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-keto-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] ester Formula: C27H34N4O7S2 MolecularWeight: 590.71146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C27H34N4O7S2/c1-20-12-13-21(17-24(20)40(36,37)31-15-6-3-7-16-31)27(33)38-19-26(32)29-22-9-8-10-23(18-22)39(34,35)30-25-11-4-2-5-14-28-25/h8-10,12-13,17-18H,2-7,11,14-16,19H2,1H3,(H,28,30)(H,29,32)