5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[3-(1-pyrrolidinyl)propyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-pyrrolidinopropyl)benzamide Formula: C21H33N3O4S MolecularWeight: 423.56942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCCN3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCCN3CCCC3

InChI

InChI=1S/C21H33N3O4S/c1-28-20-10-9-18(29(26,27)24-15-4-2-3-5-16-24)17-19(20)21(25)22-11-8-14-23-12-6-7-13-23/h9-10,17H,2-8,11-16H2,1H3,(H,22,25)