(E)-3-(1,3-benzoxazol-2-yl)-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[4-(4-sec-butylphenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C24H27N3O4S/c1-3-18(2)19-8-10-20(11-9-19)32(29,30)27-16-14-26(15-17-27)24(28)13-12-23-25-21-6-4-5-7-22(21)31-23/h4-13,18H,3,14-17H2,1-2H3/b13-12+