2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(4-methylpiperidin-1-yl)naphthalene-1,4-dione

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(4-methylpiperidin-1-yl)naphthalene-1,4-dione Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(4-methyl-1-piperidyl)naphthalene-1,4-dione CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(4-methyl-1-piperidinyl)naphthalene-1,4-dione IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(4-methylpiperidin-1-yl)naphthalene-1,4-dione Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(4-methylpiperidino)-1,4-naphthoquinone Formula: C25H26N2O4S MolecularWeight: 450.54994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H26N2O4S/c1-17-10-13-26(14-11-17)22-23(28)20-8-4-5-9-21(20)24(29)25(22)32(30,31)27-15-12-18-6-2-3-7-19(18)16-27/h2-9,17H,10-16H2,1H3