N-[2-[3-(4-nitrophenyl)propylamino]ethyl]-7-phenyl-isoquinoline-5-sulfonamide dihydrochloride

Systemtic Name: N-[2-[3-(4-nitrophenyl)propylamino]ethyl]-7-phenyl-isoquinoline-5-sulfonamide dihydrochloride Openeye Name: N-[2-[3-(4-nitrophenyl)propylamino]ethyl]-7-phenyl-isoquinoline-5-sulfonamide dihydrochloride CAS Name: N-[2-[3-(4-nitrophenyl)propylamino]ethyl]-7-phenyl-5-isoquinolinesulfonamide dihydrochloride IUPAC Name: N-[2-[3-(4-nitrophenyl)propylamino]ethyl]-7-phenylisoquinoline-5-sulfonamide dihydrochloride Traditional Name: N-[2-[3-(4-nitrophenyl)propylamino]ethyl]-7-phenyl-isoquinoline-5-sulfonamide dihydrochloride Formula: C26H28Cl2N4O4S MolecularWeight: 563.49592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C3C=CN=CC3=C2)S(=O)(=O)NCCNCCCC4=CC=C(C=C4)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C3C=CN=CC3=C2)S(=O)(=O)NCCNCCCC4=CC=C(C=C4)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C26H26N4O4S.2ClH/c31-30(32)24-10-8-20(9-11-24)5-4-13-27-15-16-29-35(33,34)26-18-22(21-6-2-1-3-7-21)17-23-19-28-14-12-25(23)26;;/h1-3,6-12,14,17-19,27,29H,4-5,13,15-16H2;2*1H