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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H35N3O5S/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/h8-11,19H,3-7,12-18H2,1-2H3/b11-9+