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

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-[(E)-cinnamyl]piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-[(E)-cinnamyl]piperazino]methanone Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O3S/c30-26(28-21-19-27(20-22-28)16-8-11-23-9-4-3-5-10-23)24-12-14-25(15-13-24)33(31,32)29-17-6-1-2-7-18-29/h3-5,8-15H,1-2,6-7,16-22H2/b11-8+