N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[furan-2-ylmethyl(methyl)amino]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[furan-2-ylmethyl(methyl)amino]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[2-furylmethyl(methyl)amino]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[2-furanylmethyl(methyl)amino]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[2-furfuryl(methyl)amino]acetamide Formula: C21H29N3O5S MolecularWeight: 435.53706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CO1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CN(CC1=CC=CO1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H29N3O5S/c1-23(15-17-8-7-13-29-17)16-21(25)22-19-14-18(9-10-20(19)28-2)30(26,27)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12,15-16H2,1-2H3,(H,22,25)