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

Systemtic Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2,3-dimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2,3-dimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(2,3-dimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2,3-dimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(2,3-dimethoxyphenyl)prop-2-en-1-one Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O5S/c1-28-19-9-7-8-18(21(19)29-2)10-11-20(25)22-14-16-24(17-15-22)30(26,27)23-12-5-3-4-6-13-23/h7-11H,3-6,12-17H2,1-2H3/b11-10+