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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-benzylpiperazin-1-yl)propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-benzylpiperazin-1-yl)propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-benzylpiperazino)propan-1-one Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O3S/c30-26(28-20-18-27(19-21-28)22-24-8-4-3-5-9-24)15-12-23-10-13-25(14-11-23)33(31,32)29-16-6-1-2-7-17-29/h3-5,8-11,13-14H,1-2,6-7,12,15-22H2