N-[7-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-2-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)ethanamide

Systemtic Name: N-[7-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-2-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)ethanamide Openeye Name: N-[7-[(tert-butylamino)methyl]chroman-4-yl]-2-[1-(8-quinolylsulfonyl)pyrrolidin-2-yl]acetamide CAS Name: N-[7-[(tert-butylamino)methyl]-3,4-dihydro-2H-1-benzopyran-4-yl]-2-[1-(8-quinolinylsulfonyl)-2-pyrrolidinyl]acetamide IUPAC Name: N-[7-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-2-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)acetamide Traditional Name: N-[7-[(tert-butylamino)methyl]chroman-4-yl]-2-[1-(8-quinolylsulfonyl)pyrrolidin-2-yl]acetamide Formula: C29H36N4O4S MolecularWeight: 536.68554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC1=CC2=C(C=C1)C(CCO2)NC(=O)CC3CCCN3S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC(C)(C)NCC1=CC2=C(C=C1)C(CCO2)NC(=O)CC3CCCN3S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H36N4O4S/c1-29(2,3)31-19-20-11-12-23-24(13-16-37-25(23)17-20)32-27(34)18-22-9-6-15-33(22)38(35,36)26-10-4-7-21-8-5-14-30-28(21)26/h4-5,7-8,10-12,14,17,22,24,31H,6,9,13,15-16,18-19H2,1-3H3,(H,32,34)