N-[3-(azepan-1-yl)propyl]-4-methyl-3-(methylsulfonylamino)benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-methyl-3-(methylsulfonylamino)benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-3-(methanesulfonamido)-4-methyl-benzamide CAS Name: N-[3-(1-azepanyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-3-(methanesulfonamido)-4-methylbenzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-3-(methanesulfonamido)-4-methyl-benzamide Formula: C18H29N3O3S MolecularWeight: 367.50616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCN2CCCCCC2)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCN2CCCCCC2)NS(=O)(=O)C

InChI

InChI=1S/C18H29N3O3S/c1-15-8-9-16(14-17(15)20-25(2,23)24)18(22)19-10-7-13-21-11-5-3-4-6-12-21/h8-9,14,20H,3-7,10-13H2,1-2H3,(H,19,22)