1-(azepan-1-yl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]propan-1-one Formula: C21H33N3O3S MolecularWeight: 407.57002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H33N3O3S/c1-17-8-9-20(16-18(17)2)28(26,27)24-14-12-22(13-15-24)19(3)21(25)23-10-6-4-5-7-11-23/h8-9,16,19H,4-7,10-15H2,1-3H3