ethyl 4-[4-[2-(2-methylindol-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-(2-methylindol-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(2-methyl-1-indolyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(2-methylindol-1-yl)acetyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=CC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=CC4=CC=CC=C43)C

InChI

InChI=1S/C24H27N3O5S/c1-3-32-24(29)19-8-10-21(11-9-19)33(30,31)26-14-12-25(13-15-26)23(28)17-27-18(2)16-20-6-4-5-7-22(20)27/h4-11,16H,3,12-15,17H2,1-2H3