[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-methoxy-4-phenylmethoxy-phenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-methoxy-4-phenylmethoxy-phenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-benzyloxy-3-methoxy-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3-methoxy-4-phenylmethoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(4-benzoxy-3-methoxy-phenyl)methanone Formula: C25H33N3O5S MolecularWeight: 487.61162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O5S/c1-32-24-19-22(11-12-23(24)33-20-21-9-5-4-6-10-21)25(29)26-15-17-28(18-16-26)34(30,31)27-13-7-2-3-8-14-27/h4-6,9-12,19H,2-3,7-8,13-18,20H2,1H3