3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-[4-(2-ethoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-o-phenetylpiperazino)propan-1-one Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H37N3O4S/c1-2-34-26-10-6-5-9-25(26)28-19-21-29(22-20-28)27(31)16-13-23-11-14-24(15-12-23)35(32,33)30-17-7-3-4-8-18-30/h5-6,9-12,14-15H,2-4,7-8,13,16-22H2,1H3