2-[[3-(aminomethyl)phenyl]amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-(phenylsulfonyl)ethanamide

Systemtic Name: 2-[[3-(aminomethyl)phenyl]amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-(phenylsulfonyl)ethanamide Openeye Name: 2-[3-(aminomethyl)anilino]-N-(benzenesulfonyl)-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: 2-[3-(aminomethyl)anilino]-N-(benzenesulfonyl)-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: 2-[3-(aminomethyl)anilino]-N-(benzenesulfonyl)-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: 2-[3-(aminomethyl)anilino]-N-besyl-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C2=CC=CC=C2)NC3=CC=CC(=C3)CN)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C2=CC=CC=C2)NC3=CC=CC(=C3)CN)OC(C)C

InChI

InChI=1S/C26H31N3O5S/c1-4-33-24-16-20(13-14-23(24)34-18(2)3)25(28-21-10-8-9-19(15-21)17-27)26(30)29-35(31,32)22-11-6-5-7-12-22/h5-16,18,25,28H,4,17,27H2,1-3H3,(H,29,30)