[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-[(E)-cinnamyl]piperazin-1-yl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methylphenyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methylphenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-[(E)-cinnamyl]piperazino]methanone Formula: C27H35N3O3S MolecularWeight: 481.6501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3S/c1-23-13-14-25(34(32,33)30-16-7-2-3-8-17-30)22-26(23)27(31)29-20-18-28(19-21-29)15-9-12-24-10-5-4-6-11-24/h4-6,9-14,22H,2-3,7-8,15-21H2,1H3/b12-9+