N-[1-[3-ethoxy-4-(phenylmethyl)-2-propan-2-ylsulfonyl-phenyl]-3-oxidanylidene-propyl]methanamide

Systemtic Name: N-[1-[3-ethoxy-4-(phenylmethyl)-2-propan-2-ylsulfonyl-phenyl]-3-oxidanylidene-propyl]methanamide Openeye Name: N-[1-(4-benzyl-3-ethoxy-2-isopropylsulfonyl-phenyl)-3-oxo-propyl]formamide CAS Name: N-[1-[3-ethoxy-4-(phenylmethyl)-2-propan-2-ylsulfonylphenyl]-3-oxopropyl]formamide IUPAC Name: N-[1-(4-benzyl-3-ethoxy-2-propan-2-ylsulfonylphenyl)-3-oxopropyl]formamide Traditional Name: N-[1-(4-benzyl-3-ethoxy-2-isopropylsulfonyl-phenyl)-3-keto-propyl]formamide Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1S(=O)(=O)C(C)C)C(CC=O)NC=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=CC(=C1S(=O)(=O)C(C)C)C(CC=O)NC=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S/c1-4-28-21-18(14-17-8-6-5-7-9-17)10-11-19(20(12-13-24)23-15-25)22(21)29(26,27)16(2)3/h5-11,13,15-16,20H,4,12,14H2,1-3H3,(H,23,25)