(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-(4-phenyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-phenylpiperazino)prop-2-en-1-one Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3S/c29-25(27-20-18-26(19-21-27)23-8-4-3-5-9-23)15-12-22-10-13-24(14-11-22)32(30,31)28-16-6-1-2-7-17-28/h3-5,8-15H,1-2,6-7,16-21H2/b15-12+