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

Systemtic Name: 3-(4-tert-butylphenyl)-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4-tert-butylphenyl)-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(4-tert-butylphenyl)-1-[4-[(1-methyl-3-pyrrolyl)sulfonyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-tert-butylphenyl)-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(4-tert-butylphenyl)-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazino]propan-1-one Formula: C22H31N3O3S MolecularWeight: 417.56484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C

InChI

InChI=1S/C22H31N3O3S/c1-22(2,3)19-8-5-18(6-9-19)7-10-21(26)24-13-15-25(16-14-24)29(27,28)20-11-12-23(4)17-20/h5-6,8-9,11-12,17H,7,10,13-16H2,1-4H3