N-[2-(azepan-1-yl)ethyl]-5-(azepan-1-ylsulfonyl)-2-methyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-5-(azepan-1-ylsulfonyl)-2-methyl-benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-5-(azepan-1-ylsulfonyl)-2-methyl-benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-5-(1-azepanylsulfonyl)-2-methylbenzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-5-(azepan-1-ylsulfonyl)-2-methylbenzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-5-(azepan-1-ylsulfonyl)-2-methyl-benzamide Formula: C22H35N3O3S MolecularWeight: 421.5966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCN3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCN3CCCCCC3

InChI

InChI=1S/C22H35N3O3S/c1-19-10-11-20(29(27,28)25-15-8-4-5-9-16-25)18-21(19)22(26)23-12-17-24-13-6-2-3-7-14-24/h10-11,18H,2-9,12-17H2,1H3,(H,23,26)