methyl 2-[4-(heptan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(heptan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(1-methylhexylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(heptan-2-ylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(heptan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(1-methylhexylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C21H32N2O5S/c1-4-5-6-9-16(2)22-20(24)17-12-14-23(15-13-17)29(26,27)19-11-8-7-10-18(19)21(25)28-3/h7-8,10-11,16-17H,4-6,9,12-15H2,1-3H3,(H,22,24)