3-[[3,4-bis(oxidanyl)naphthalen-1-yl]amino]-N-[2-(2-hydroxyethylamino)ethyl]benzamide; sulfurous acid

Systemtic Name: 3-[[3,4-bis(oxidanyl)naphthalen-1-yl]amino]-N-[2-(2-hydroxyethylamino)ethyl]benzamide; sulfurous acid Openeye Name: 3-[(3,4-dihydroxy-1-naphthyl)amino]-N-[2-(2-hydroxyethylamino)ethyl]benzamide; sulfurous acid CAS Name: 3-[(3,4-dihydroxy-1-naphthalenyl)amino]-N-[2-(2-hydroxyethylamino)ethyl]benzamide; sulfurous acid IUPAC Name: 3-[(3,4-dihydroxynaphthalen-1-yl)amino]-N-[2-(2-hydroxyethylamino)ethyl]benzamide; sulfurous acid Traditional Name: 3-[(3,4-dihydroxy-1-naphthyl)amino]-N-[2-(2-hydroxyethylamino)ethyl]benzamide; sulfurous acid Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)O)NC3=CC=CC(=C3)C(=O)NCCNCCO.OS(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)O)NC3=CC=CC(=C3)C(=O)NCCNCCO.OS(=O)O

InChI

InChI=1S/C21H23N3O4.H2O3S/c25-11-10-22-8-9-23-21(28)14-4-3-5-15(12-14)24-18-13-19(26)20(27)17-7-2-1-6-16(17)18;1-4(2)3/h1-7,12-13,22,24-27H,8-11H2,(H,23,28);(H2,1,2,3)