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

Systemtic Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methanone IUPAC Name: (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)methanone Formula: C25H31N3O4S MolecularWeight: 469.59634

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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)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H31N3O4S/c1-32-23-12-11-22(20-24(23)33(30,31)28-14-5-6-15-28)25(29)27-18-16-26(17-19-27)13-7-10-21-8-3-2-4-9-21/h2-4,7-12,20H,5-6,13-19H2,1H3/b10-7+