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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-pyrrolidin-1-yl-naphthalene-1,4-dione Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-pyrrolidin-1-yl-naphthalene-1,4-dione CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(1-pyrrolidinyl)naphthalene-1,4-dione IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-pyrrolidin-1-ylnaphthalene-1,4-dione Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-pyrrolidino-1,4-naphthoquinone Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C23H22N2O4S/c26-21-18-9-3-4-10-19(18)22(27)23(20(21)24-12-5-6-13-24)30(28,29)25-14-11-16-7-1-2-8-17(16)15-25/h1-4,7-10H,5-6,11-15H2