N-(phenylmethyl)-2-(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)ethanamide

Systemtic Name: N-(phenylmethyl)-2-(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)ethanamide Openeye Name: N-benzyl-2-[4-(8-quinolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(phenylmethyl)-2-[4-(8-quinolinylsulfonyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-benzyl-2-(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)acetamide Traditional Name: N-benzyl-2-[4-(8-quinolylsulfonyl)-1,4-diazepan-1-yl]acetamide Formula: C23H26N4O3S MolecularWeight: 438.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c28-22(25-17-19-7-2-1-3-8-19)18-26-13-6-14-27(16-15-26)31(29,30)21-11-4-9-20-10-5-12-24-23(20)21/h1-5,7-12H,6,13-18H2,(H,25,28)