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

Systemtic Name: methyl 2-[4-[(4-cyanophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(4-cyanophenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(4-cyanoanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-cyanophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(4-cyanophenyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N3O5S/c1-29-21(26)18-4-2-3-5-19(18)30(27,28)24-12-10-16(11-13-24)20(25)23-17-8-6-15(14-22)7-9-17/h2-9,16H,10-13H2,1H3,(H,23,25)