1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3-bromanylphenoxy)propan-2-ol

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3-bromanylphenoxy)propan-2-ol Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3-bromophenoxy)propan-2-ol CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(3-bromophenoxy)-2-propanol IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3-bromophenoxy)propan-2-ol Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(3-bromophenoxy)propan-2-ol Formula: C19H30BrN3O4S MolecularWeight: 476.4282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC(=CC=C3)Br)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC(=CC=C3)Br)O

InChI

InChI=1S/C19H30BrN3O4S/c20-17-6-5-7-19(14-17)27-16-18(24)15-21-10-12-23(13-11-21)28(25,26)22-8-3-1-2-4-9-22/h5-7,14,18,24H,1-4,8-13,15-16H2