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

Systemtic Name: 3-(4-but-2-ynoxyphenyl)-3-(4-methoxyphenyl)-2-sulfonyl-piperazine-1-carboxamide Openeye Name: 3-(4-but-2-ynoxyphenyl)-3-(4-methoxyphenyl)-2-sulfonyl-piperazine-1-carboxamide CAS Name: 3-(4-but-2-ynoxyphenyl)-3-(4-methoxyphenyl)-2-sulfonyl-1-piperazinecarboxamide IUPAC Name: 3-(4-but-2-ynoxyphenyl)-3-(4-methoxyphenyl)-2-sulfonylpiperazine-1-carboxamide Traditional Name: 3-(4-but-2-ynoxyphenyl)-3-(4-methoxyphenyl)-2-sulfonyl-piperazine-1-carboxamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C2(C(=S(=O)=O)N(CCN2)C(=O)N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C2(C(=S(=O)=O)N(CCN2)C(=O)N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23N3O5S/c1-3-4-15-30-19-11-7-17(8-12-19)22(16-5-9-18(29-2)10-6-16)20(31(27)28)25(21(23)26)14-13-24-22/h5-12,24H,13-15H2,1-2H3,(H2,23,26)