ethyl 4-[2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-(p-tolylmethylsulfonyl)indol-1-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-[(4-methylphenyl)methylsulfonyl]-1-indolyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(4-methylbenzyl)sulfonylindol-1-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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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=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5S/c1-3-33-25(30)27-14-12-26(13-15-27)24(29)17-28-16-23(21-6-4-5-7-22(21)28)34(31,32)18-20-10-8-19(2)9-11-20/h4-11,16H,3,12-15,17-18H2,1-2H3