N-[2-(azepan-1-ylsulfonyl)ethyl]-3-methoxy-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-3-methoxy-N-(pyridin-2-ylmethyl)benzamide Openeye Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-3-methoxy-N-(2-pyridylmethyl)benzamide CAS Name: N-[2-(1-azepanylsulfonyl)ethyl]-3-methoxy-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-3-methoxy-N-(pyridin-2-ylmethyl)benzamide Traditional Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-3-methoxy-N-(2-pyridylmethyl)benzamide Formula: C22H29N3O4S MolecularWeight: 431.54836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N(CCS(=O)(=O)N2CCCCCC2)CC3=CC=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N(CCS(=O)(=O)N2CCCCCC2)CC3=CC=CC=N3

InChI

InChI=1S/C22H29N3O4S/c1-29-21-11-8-9-19(17-21)22(26)24(18-20-10-4-5-12-23-20)15-16-30(27,28)25-13-6-2-3-7-14-25/h4-5,8-12,17H,2-3,6-7,13-16,18H2,1H3