N-[(4-imidazol-1-ylphenyl)methyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[(4-imidazol-1-ylphenyl)methyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[[4-(1-imidazolyl)phenyl]methyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-(4-imidazol-1-ylbenzyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C26H24N4O4S/c31-26(28-16-20-10-12-22(13-11-20)29-15-14-27-19-29)25-17-30(23-8-4-5-9-24(23)34-25)35(32,33)18-21-6-2-1-3-7-21/h1-15,19,25H,16-18H2,(H,28,31)