N-[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-(3-methoxyphenyl)sulfonyl-2-oxidanyl-propanamide hydrochloride

Systemtic Name: N-[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-(3-methoxyphenyl)sulfonyl-2-oxidanyl-propanamide hydrochloride Openeye Name: N-[1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-2-hydroxy-3-(3-methoxyphenyl)sulfonyl-propanamide hydrochloride CAS Name: 2-hydroxy-N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-(3-methoxyphenyl)sulfonylpropanamide hydrochloride IUPAC Name: 2-hydroxy-N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-(3-methoxyphenyl)sulfonylpropanamide hydrochloride Traditional Name: N-[1-benzyl-2-hydroxy-3-(m-anisylamino)propyl]-2-hydroxy-3-(3-methoxyphenyl)sulfonyl-propionamide hydrochloride Formula: C28H35ClN2O7S MolecularWeight: 579.1047

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)CC(C(=O)NC(CC2=CC=CC=C2)C(CNCC3=CC(=CC=C3)OC)O)O.Cl

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)CC(C(=O)NC(CC2=CC=CC=C2)C(CNCC3=CC(=CC=C3)OC)O)O.Cl

InChI

InChI=1S/C28H34N2O7S.ClH/c1-36-22-11-6-10-21(14-22)17-29-18-26(31)25(15-20-8-4-3-5-9-20)30-28(33)27(32)19-38(34,35)24-13-7-12-23(16-24)37-2;/h3-14,16,25-27,29,31-32H,15,17-19H2,1-2H3,(H,30,33);1H