N-(4-butylphenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-(4-butylphenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-(4-butylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-(4-butylphenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-(4-butylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-(4-butylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O4S/c1-2-3-9-20-14-16-22(17-15-20)27-26(29)25-18-28(23-12-7-8-13-24(23)32-25)33(30,31)19-21-10-5-4-6-11-21/h4-8,10-17,25H,2-3,9,18-19H2,1H3,(H,27,29)