ethyl 4-[(2R)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[(2R)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2R)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2R)-3-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2R)-3-[4-(azepan-1-ylsulfonyl)piperazino]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C22H35N3O6S MolecularWeight: 469.5948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](CN2CCN(CC2)S(=O)(=O)N3CCCCCC3)O

InChI

InChI=1S/C22H35N3O6S/c1-2-30-22(27)19-7-9-21(10-8-19)31-18-20(26)17-23-13-15-25(16-14-23)32(28,29)24-11-5-3-4-6-12-24/h7-10,20,26H,2-6,11-18H2,1H3/t20-/m1/s1