N-[7-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-2-(1-isoquinolin-5-ylsulfonylpyrrolidin-2-yl)ethanamide

Systemtic Name: N-[7-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-2-(1-isoquinolin-5-ylsulfonylpyrrolidin-2-yl)ethanamide Openeye Name: N-[7-[(tert-butylamino)methyl]chroman-4-yl]-2-[1-(5-isoquinolylsulfonyl)pyrrolidin-2-yl]acetamide CAS Name: N-[7-[(tert-butylamino)methyl]-3,4-dihydro-2H-1-benzopyran-4-yl]-2-[1-(5-isoquinolinylsulfonyl)-2-pyrrolidinyl]acetamide IUPAC Name: N-[7-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-2-(1-isoquinolin-5-ylsulfonylpyrrolidin-2-yl)acetamide Traditional Name: N-[7-[(tert-butylamino)methyl]chroman-4-yl]-2-[1-(5-isoquinolylsulfonyl)pyrrolidin-2-yl]acetamide Formula: C29H36N4O4S MolecularWeight: 536.68554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC1=CC2=C(C=C1)C(CCO2)NC(=O)CC3CCCN3S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC(C)(C)NCC1=CC2=C(C=C1)C(CCO2)NC(=O)CC3CCCN3S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

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