3-[4-(phenylmethyl)piperazin-1-yl]-1-[1-(phenylsulfonyl)pyrrol-2-yl]propan-1-one

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]-1-[1-(phenylsulfonyl)pyrrol-2-yl]propan-1-one Openeye Name: 1-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(4-benzylpiperazin-1-yl)propan-1-one CAS Name: 1-[1-(benzenesulfonyl)-2-pyrrolyl]-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(4-benzylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-benzylpiperazino)-1-(1-besylpyrrol-2-yl)propan-1-one Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC=CN2S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC=CN2S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3S/c28-24(23-12-7-14-27(23)31(29,30)22-10-5-2-6-11-22)13-15-25-16-18-26(19-17-25)20-21-8-3-1-4-9-21/h1-12,14H,13,15-20H2