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

Systemtic Name: methyl 2-[4-(1-phenylethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(1-phenylethylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-(1-phenylethylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(1-phenylethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(1-phenylethylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H26N2O5S/c1-16(17-8-4-3-5-9-17)23-21(25)18-12-14-24(15-13-18)30(27,28)20-11-7-6-10-19(20)22(26)29-2/h3-11,16,18H,12-15H2,1-2H3,(H,23,25)