1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-4-(4-methylsulfonylphenyl)carbonyl-piperazin-2-one

Systemtic Name: 1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-4-(4-methylsulfonylphenyl)carbonyl-piperazin-2-one Openeye Name: 1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-4-(4-methylsulfonylbenzoyl)piperazin-2-one CAS Name: 1-[4-[3-(2-methyl-1-pyrrolidinyl)propoxy]phenyl]-4-[(4-methylsulfonylphenyl)-oxomethyl]-2-piperazinone IUPAC Name: 1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-4-(4-methylsulfonylbenzoyl)piperazin-2-one Traditional Name: 4-(4-mesylbenzoyl)-1-[4-[3-(2-methylpyrrolidino)propoxy]phenyl]piperazin-2-one Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1CCCN1CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C26H33N3O5S/c1-20-5-3-14-27(20)15-4-18-34-23-10-8-22(9-11-23)29-17-16-28(19-25(29)30)26(31)21-6-12-24(13-7-21)35(2,32)33/h6-13,20H,3-5,14-19H2,1-2H3