(2R)-1-(azepan-1-yl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: (2R)-1-(azepan-1-yl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-(4-p-phenetylsulfonylpiperazino)propan-1-one Formula: C21H33N3O4S MolecularWeight: 423.56942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)[C@H](C)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-3-28-19-8-10-20(11-9-19)29(26,27)24-16-14-22(15-17-24)18(2)21(25)23-12-6-4-5-7-13-23/h8-11,18H,3-7,12-17H2,1-2H3/t18-/m1/s1