4-[[azepan-1-ylsulfonyl(furan-2-ylmethyl)amino]methyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[azepan-1-ylsulfonyl(furan-2-ylmethyl)amino]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[azepan-1-ylsulfonyl(2-furylmethyl)amino]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[1-azepanylsulfonyl(2-furanylmethyl)amino]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[azepan-1-ylsulfonyl(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[azepan-1-ylsulfonyl(2-furfuryl)amino]methyl]-N-cyclopropyl-benzamide Formula: C22H29N3O4S MolecularWeight: 431.54836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)NC3CC3)CC4=CC=CO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)NC3CC3)CC4=CC=CO4

InChI

InChI=1S/C22H29N3O4S/c26-22(23-20-11-12-20)19-9-7-18(8-10-19)16-25(17-21-6-5-15-29-21)30(27,28)24-13-3-1-2-4-14-24/h5-10,15,20H,1-4,11-14,16-17H2,(H,23,26)