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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(4-tert-butylphenoxy)propan-2-ol Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(4-tert-butylphenoxy)propan-2-ol CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(4-tert-butylphenoxy)-2-propanol IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(4-tert-butylphenoxy)propan-2-ol Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(4-tert-butylphenoxy)propan-2-ol Formula: C23H39N3O4S MolecularWeight: 453.63846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)N3CCCCCC3)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)N3CCCCCC3)O

InChI

InChI=1S/C23H39N3O4S/c1-23(2,3)20-8-10-22(11-9-20)30-19-21(27)18-24-14-16-26(17-15-24)31(28,29)25-12-6-4-5-7-13-25/h8-11,21,27H,4-7,12-19H2,1-3H3