1-[5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[oxo-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CN3)C(=O)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CN3)C(=O)C

InChI

InChI=1S/C20H25N3O4S/c1-3-4-16-5-7-18(8-6-16)28(26,27)23-11-9-22(10-12-23)20(25)19-13-17(14-21-19)15(2)24/h5-8,13-14,21H,3-4,9-12H2,1-2H3