methyl 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]benzoic acid methyl ester Formula: C19H29N3O4S MolecularWeight: 395.51626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4S/c1-26-19(23)18-8-6-17(7-9-18)16-20-12-14-22(15-13-20)27(24,25)21-10-4-2-3-5-11-21/h6-9H,2-5,10-16H2,1H3