dimethyl 2-[2-cyano-1-[2-[1-(phenylsulfonyl)indol-3-yl]ethyl]piperidin-4-yl]propanedioate

Systemtic Name: dimethyl 2-[2-cyano-1-[2-[1-(phenylsulfonyl)indol-3-yl]ethyl]piperidin-4-yl]propanedioate Openeye Name: dimethyl 2-[1-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-cyano-4-piperidyl]propanedioate CAS Name: 2-[1-[2-[1-(benzenesulfonyl)-3-indolyl]ethyl]-2-cyano-4-piperidinyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-cyanopiperidin-4-yl]propanedioate Traditional Name: 2-[1-[2-(1-besylindol-3-yl)ethyl]-2-cyano-4-piperidyl]malonic acid dimethyl ester Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCN(C(C1)C#N)CCC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C(C1CCN(C(C1)C#N)CCC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H29N3O6S/c1-35-26(31)25(27(32)36-2)19-12-14-29(21(16-19)17-28)15-13-20-18-30(24-11-7-6-10-23(20)24)37(33,34)22-8-4-3-5-9-22/h3-11,18-19,21,25H,12-16H2,1-2H3