(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Systemtic Name: (4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methanone IUPAC Name: (4-methoxy-3-piperidin-1-ylsulfonylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-(4-methoxy-3-piperidinosulfonyl-phenyl)methanone Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H33N3O4S/c1-33-24-13-12-23(21-25(24)34(31,32)29-15-6-3-7-16-29)26(30)28-19-17-27(18-20-28)14-8-11-22-9-4-2-5-10-22/h2,4-5,8-13,21H,3,6-7,14-20H2,1H3/b11-8+