N-[4-(cyanomethyl)phenyl]-4-[(2-methylpropan-2-yl)oxymethyl]-N-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-[(2-methylpropan-2-yl)oxymethyl]-N-propan-2-ylsulfonyl-benzamide Openeye Name: 4-(tert-butoxymethyl)-N-[4-(cyanomethyl)phenyl]-N-isopropylsulfonyl-benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-[(2-methylpropan-2-yl)oxymethyl]-N-propan-2-ylsulfonylbenzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-[(2-methylpropan-2-yl)oxymethyl]-N-propan-2-ylsulfonylbenzamide Traditional Name: 4-(tert-butoxymethyl)-N-[4-(cyanomethyl)phenyl]-N-isopropylsulfonyl-benzamide Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N(C1=CC=C(C=C1)CC#N)C(=O)C2=CC=C(C=C2)COC(C)(C)C

Isomeric SMILES

CC(C)S(=O)(=O)N(C1=CC=C(C=C1)CC#N)C(=O)C2=CC=C(C=C2)COC(C)(C)C

InChI

InChI=1S/C23H28N2O4S/c1-17(2)30(27,28)25(21-12-8-18(9-13-21)14-15-24)22(26)20-10-6-19(7-11-20)16-29-23(3,4)5/h6-13,17H,14,16H2,1-5H3