N-[4-(cyanomethyl)phenyl]-4-[(3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-[(3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-propan-2-ylsulfonyl-benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-N-isopropylsulfonyl-4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-propan-2-ylsulfonylbenzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-propan-2-ylsulfonylbenzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-N-isopropylsulfonyl-4-[(3-keto-1,4-benzoxazin-4-yl)methyl]benzamide Formula: C27H25N3O5S MolecularWeight: 503.5695

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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)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

CC(C)S(=O)(=O)N(C1=CC=C(C=C1)CC#N)C(=O)C2=CC=C(C=C2)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C27H25N3O5S/c1-19(2)36(33,34)30(23-13-9-20(10-14-23)15-16-28)27(32)22-11-7-21(8-12-22)17-29-24-5-3-4-6-25(24)35-18-26(29)31/h3-14,19H,15,17-18H2,1-2H3