4-(4-but-2-ynoxyphenyl)sulfonyl-3-(4-methoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(4-methoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(4-methoxyphenyl)piperazine-1-carboxamide CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(4-methoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(4-methoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(4-methoxyphenyl)piperazine-1-carboxamide Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C3=CC=C(C=C3)OC)C(=O)N

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C3=CC=C(C=C3)OC)C(=O)N

InChI

InChI=1S/C22H25N3O5S/c1-3-4-15-30-19-9-11-20(12-10-19)31(27,28)25-14-13-24(22(23)26)16-21(25)17-5-7-18(29-2)8-6-17/h5-12,21H,13-16H2,1-2H3,(H2,23,26)