N-[4-(cyanomethyl)phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-esyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C19H19N3O4S/c1-2-27(24,25)22-13-18(26-17-6-4-3-5-16(17)22)19(23)21-15-9-7-14(8-10-15)11-12-20/h3-10,18H,2,11,13H2,1H3,(H,21,23)