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

Systemtic Name: (2S)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(4-fluoranylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol CAS Name: (2S)-1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(4-fluorophenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(4-fluorophenoxy)propan-2-ol Formula: C19H30FN3O4S MolecularWeight: 415.522603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C[C@@H](COC3=CC=C(C=C3)F)O

InChI

InChI=1S/C19H30FN3O4S/c20-17-5-7-19(8-6-17)27-16-18(24)15-21-11-13-23(14-12-21)28(25,26)22-9-3-1-2-4-10-22/h5-8,18,24H,1-4,9-16H2/t18-/m0/s1