5-(azepan-1-ylsulfonyl)-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)indole-2,3-dione

Systemtic Name: 5-(azepan-1-ylsulfonyl)-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)indole-2,3-dione Openeye Name: 5-(azepan-1-ylsulfonyl)-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)indoline-2,3-dione CAS Name: 5-(1-azepanylsulfonyl)-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)indole-2,3-dione IUPAC Name: 5-(azepan-1-ylsulfonyl)-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)indole-2,3-dione Traditional Name: 5-(azepan-1-ylsulfonyl)-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)isatin Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H27N3O4S/c28-23-21-15-20(32(30,31)26-12-5-1-2-6-13-26)9-10-22(21)27(24(23)29)17-25-14-11-18-7-3-4-8-19(18)16-25/h3-4,7-10,15H,1-2,5-6,11-14,16-17H2