[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O5S/c31-27(29(20-23-10-4-1-5-11-23)21-24-12-6-2-7-13-24)22-35-28(32)25-14-16-26(17-15-25)36(33,34)30-18-8-3-9-19-30/h1-2,4-7,10-17H,3,8-9,18-22H2