N-[4-[(2-azidoacridin-9-yl)amino]-3-methoxy-phenyl]methanesulfonamide hydrate hydrochloride

Systemtic Name: N-[4-[(2-azidoacridin-9-yl)amino]-3-methoxy-phenyl]methanesulfonamide hydrate hydrochloride Openeye Name: N-[4-[(2-azidoacridin-9-yl)amino]-3-methoxy-phenyl]methanesulfonamide hydrate hydrochloride CAS Name: N-[4-[(2-azido-9-acridinyl)amino]-3-methoxyphenyl]methanesulfonamide hydrate hydrochloride IUPAC Name: N-[4-[(2-azidoacridin-9-yl)amino]-3-methoxyphenyl]methanesulfonamide hydrate hydrochloride Traditional Name: N-[4-[(2-azidoacridin-9-yl)amino]-3-methoxy-phenyl]methanesulfonamide hydrate hydrochloride Formula: C21H21ClN6O4S MolecularWeight: 488.94724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=C(C=CC3=NC4=CC=CC=C42)N=[N+]=[N-].O.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=C(C=CC3=NC4=CC=CC=C42)N=[N+]=[N-].O.Cl

InChI

InChI=1S/C21H18N6O3S.ClH.H2O/c1-30-20-12-14(26-31(2,28)29)8-10-19(20)24-21-15-5-3-4-6-17(15)23-18-9-7-13(25-27-22)11-16(18)21;;/h3-12,26H,1-2H3,(H,23,24);1H;1H2