1-[(2-fluorophenyl)methoxy]-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol

Systemtic Name: 1-[(2-fluorophenyl)methoxy]-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol Openeye Name: 1-[(2-fluorophenyl)methoxy]-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-2-ol CAS Name: 1-[(2-fluorophenyl)methoxy]-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-propanol IUPAC Name: 1-[(2-fluorophenyl)methoxy]-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol Traditional Name: 1-(2-fluorobenzyl)oxy-3-(4-tosyl-1,4-diazepan-1-yl)propan-2-ol Formula: C22H29FN2O4S MolecularWeight: 436.540063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(COCC3=CC=CC=C3F)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(COCC3=CC=CC=C3F)O

InChI

InChI=1S/C22H29FN2O4S/c1-18-7-9-21(10-8-18)30(27,28)25-12-4-11-24(13-14-25)15-20(26)17-29-16-19-5-2-3-6-22(19)23/h2-3,5-10,20,26H,4,11-17H2,1H3