N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-(4-methoxyphenyl)propanamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-(4-methoxyphenyl)propanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-(4-methoxyphenyl)propanamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-3-(4-methoxyphenyl)propanamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(4-methoxyphenyl)propanamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-(4-methoxyphenyl)propionamide Formula: C26H35N3O5S MolecularWeight: 501.6382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

InChI

InChI=1S/C26H35N3O5S/c1-33-22-9-6-21(7-10-22)8-13-26(30)27-24-20-23(35(31,32)29-16-18-34-19-17-29)11-12-25(24)28-14-4-2-3-5-15-28/h6-7,9-12,20H,2-5,8,13-19H2,1H3,(H,27,30)