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

Systemtic Name: N-[2-[3-(2-methyl-4-nitro-phenyl)propylamino]ethyl]-7-phenyl-isoquinoline-5-sulfonamide dihydrochloride Openeye Name: N-[2-[3-(2-methyl-4-nitro-phenyl)propylamino]ethyl]-7-phenyl-isoquinoline-5-sulfonamide dihydrochloride CAS Name: N-[2-[3-(2-methyl-4-nitrophenyl)propylamino]ethyl]-7-phenyl-5-isoquinolinesulfonamide dihydrochloride IUPAC Name: N-[2-[3-(2-methyl-4-nitrophenyl)propylamino]ethyl]-7-phenylisoquinoline-5-sulfonamide dihydrochloride Traditional Name: N-[2-[3-(2-methyl-4-nitro-phenyl)propylamino]ethyl]-7-phenyl-isoquinoline-5-sulfonamide dihydrochloride Formula: C27H30Cl2N4O4S MolecularWeight: 577.5225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])CCCNCCNS(=O)(=O)C2=C3C=CN=CC3=CC(=C2)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])CCCNCCNS(=O)(=O)C2=C3C=CN=CC3=CC(=C2)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C27H28N4O4S.2ClH/c1-20-16-25(31(32)33)10-9-21(20)8-5-12-28-14-15-30-36(34,35)27-18-23(22-6-3-2-4-7-22)17-24-19-29-13-11-26(24)27;;/h2-4,6-7,9-11,13,16-19,28,30H,5,8,12,14-15H2,1H3;2*1H