2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide CAS Name: 2-[5-(1-azepanylsulfonyl)-1-indolyl]-N-[(3-methoxyphenyl)methyl]propanamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-m-anisyl-propionamide Formula: C25H31N3O4S MolecularWeight: 469.59634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=CC=C1)OC)N2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C(=O)NCC1=CC(=CC=C1)OC)N2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-19(25(29)26-18-20-8-7-9-22(16-20)32-2)28-15-12-21-17-23(10-11-24(21)28)33(30,31)27-13-5-3-4-6-14-27/h7-12,15-17,19H,3-6,13-14,18H2,1-2H3,(H,26,29)