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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(dipropylamino)naphthalene-1,4-dione Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(dipropylamino)naphthalene-1,4-dione CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(dipropylamino)naphthalene-1,4-dione IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(dipropylamino)naphthalene-1,4-dione Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(dipropylamino)-1,4-naphthoquinone Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCN(CCC)C1=C(C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H28N2O4S/c1-3-14-26(15-4-2)22-23(28)20-11-7-8-12-21(20)24(29)25(22)32(30,31)27-16-13-18-9-5-6-10-19(18)17-27/h5-12H,3-4,13-17H2,1-2H3