(E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,4-diethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,4-diethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,4-diethoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(3,4-diethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,4-diethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(3,4-diethoxyphenyl)prop-2-en-1-one Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OCC

InChI

InChI=1S/C23H35N3O5S/c1-3-30-21-11-9-20(19-22(21)31-4-2)10-12-23(27)24-15-17-26(18-16-24)32(28,29)25-13-7-5-6-8-14-25/h9-12,19H,3-8,13-18H2,1-2H3/b12-10+