methyl 1-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[[2-methyl-5-(1-piperidylsulfonyl)benzoyl]amino]cycloheptanecarboxylate CAS Name: 1-[[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cycloheptane-1-carboxylate Traditional Name: 1-[(2-methyl-5-piperidinosulfonyl-benzoyl)amino]cycloheptanecarboxylic acid methyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3(CCCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3(CCCCCC3)C(=O)OC

InChI

InChI=1S/C22H32N2O5S/c1-17-10-11-18(30(27,28)24-14-8-5-9-15-24)16-19(17)20(25)23-22(21(26)29-2)12-6-3-4-7-13-22/h10-11,16H,3-9,12-15H2,1-2H3,(H,23,25)