3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-p-anisylpiperazino)propan-1-one Formula: C27H37N3O4S MolecularWeight: 499.66538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H37N3O4S/c1-34-25-11-6-24(7-12-25)22-28-18-20-29(21-19-28)27(31)15-10-23-8-13-26(14-9-23)35(32,33)30-16-4-2-3-5-17-30/h6-9,11-14H,2-5,10,15-22H2,1H3