3-(4-tert-butylphenyl)-1-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-tert-butylphenyl)-1-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-(4-tert-butylphenyl)propan-1-one CAS Name: 1-[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]-3-(4-tert-butylphenyl)-1-propanone IUPAC Name: 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-(4-tert-butylphenyl)propan-1-one Traditional Name: 1-[4-(3-acetylphenyl)sulfonylpiperazino]-3-(4-tert-butylphenyl)propan-1-one Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H32N2O4S/c1-19(28)21-6-5-7-23(18-21)32(30,31)27-16-14-26(15-17-27)24(29)13-10-20-8-11-22(12-9-20)25(2,3)4/h5-9,11-12,18H,10,13-17H2,1-4H3