N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[[3-(1-imidazolylmethyl)phenyl]methyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[3-(imidazol-1-ylmethyl)benzyl]-4-mesyl-6-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCC3=CC=CC(=C3)CN4C=CN=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCC3=CC=CC(=C3)CN4C=CN=C4

InChI

InChI=1S/C22H24N4O4S/c1-16-6-7-20-19(10-16)26(31(2,28)29)14-21(30-20)22(27)24-12-17-4-3-5-18(11-17)13-25-9-8-23-15-25/h3-11,15,21H,12-14H2,1-2H3,(H,24,27)