1-[4-[4-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(2-methyl-5-pyrrolidinosulfonyl-benzoyl)piperazino]phenyl]ethanone Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C24H29N3O4S/c1-18-5-10-22(32(30,31)27-11-3-4-12-27)17-23(18)24(29)26-15-13-25(14-16-26)21-8-6-20(7-9-21)19(2)28/h5-10,17H,3-4,11-16H2,1-2H3