ethyl 4-[2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-benzylsulfonylindol-1-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[3-(phenylmethyl)sulfonyl-1-indolyl]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-benzylsulfonylindol-1-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-benzylsulfonylindol-1-yl)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O5S/c1-2-32-24(29)26-14-12-25(13-15-26)23(28)17-27-16-22(20-10-6-7-11-21(20)27)33(30,31)18-19-8-4-3-5-9-19/h3-11,16H,2,12-15,17-18H2,1H3