N-[(5-acetamido-2-ethylsulfonyl-phenyl)methyl]-2-[4-(aminomethyl)phenoxy]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide

Systemtic Name: N-[(5-acetamido-2-ethylsulfonyl-phenyl)methyl]-2-[4-(aminomethyl)phenoxy]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: N-[(5-acetamido-2-ethylsulfonyl-phenyl)methyl]-2-[4-(aminomethyl)phenoxy]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: N-[(5-acetamido-2-ethylsulfonylphenyl)methyl]-2-[4-(aminomethyl)phenoxy]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: N-[(5-acetamido-2-ethylsulfonylphenyl)methyl]-2-[4-(aminomethyl)phenoxy]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: N-(5-acetamido-2-esyl-benzyl)-2-[4-(aminomethyl)phenoxy]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C31H39N3O7S MolecularWeight: 597.72226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=C(C=CC(=C2)NC(=O)C)S(=O)(=O)CC)OC3=CC=C(C=C3)CN)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=C(C=CC(=C2)NC(=O)C)S(=O)(=O)CC)OC3=CC=C(C=C3)CN)OC(C)C

InChI

InChI=1S/C31H39N3O7S/c1-6-39-28-17-23(10-14-27(28)40-20(3)4)30(41-26-12-8-22(18-32)9-13-26)31(36)33-19-24-16-25(34-21(5)35)11-15-29(24)42(37,38)7-2/h8-17,20,30H,6-7,18-19,32H2,1-5H3,(H,33,36)(H,34,35)