(E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-1-[4-(azepan-1-ylsulfonyl)piperazino]prop-2-en-1-one Formula: C23H33N3O5S MolecularWeight: 463.59022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OCC=C

InChI

InChI=1S/C23H33N3O5S/c1-3-18-31-21-10-8-20(19-22(21)30-2)9-11-23(27)24-14-16-26(17-15-24)32(28,29)25-12-6-4-5-7-13-25/h3,8-11,19H,1,4-7,12-18H2,2H3/b11-9+