4-(aminomethyl)-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindole-1,3-dione hydrochloride

Systemtic Name: 4-(aminomethyl)-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindole-1,3-dione hydrochloride Openeye Name: 4-(aminomethyl)-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindoline-1,3-dione hydrochloride CAS Name: 4-(aminomethyl)-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione hydrochloride IUPAC Name: 4-(aminomethyl)-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione hydrochloride Traditional Name: 4-(aminomethyl)-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]isoindoline-1,3-quinone hydrochloride Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)CN)OC.Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)CN)OC.Cl

InChI

InChI=1S/C21H24N2O6S.ClH/c1-4-29-18-10-13(8-9-17(18)28-2)16(12-30(3,26)27)23-20(24)15-7-5-6-14(11-22)19(15)21(23)25;/h5-10,16H,4,11-12,22H2,1-3H3;1H