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

Systemtic Name: 1-[5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H27N3O4S/c1-15(25)16-13-19(22-14-16)20(26)23-9-11-24(12-10-23)29(27,28)18-7-5-17(6-8-18)21(2,3)4/h5-8,13-14,22H,9-12H2,1-4H3