(E)-1-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-(5-isoquinolylsulfonyl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-(5-isoquinolinylsulfonyl)-1-piperazinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-(5-isoquinolylsulfonyl)piperazino]-3-phenyl-prop-2-en-1-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H21N3O3S/c26-22(10-9-18-5-2-1-3-6-18)24-13-15-25(16-14-24)29(27,28)21-8-4-7-19-17-23-12-11-20(19)21/h1-12,17H,13-16H2/b10-9+