2,2,4-trimethyl-7-nitro-N-(phenylmethyl)-3H-1,4-benzoxazine-6-sulfonamide

Systemtic Name: 2,2,4-trimethyl-7-nitro-N-(phenylmethyl)-3H-1,4-benzoxazine-6-sulfonamide Openeye Name: N-benzyl-2,2,4-trimethyl-7-nitro-3H-1,4-benzoxazine-6-sulfonamide CAS Name: 2,2,4-trimethyl-7-nitro-N-(phenylmethyl)-3H-1,4-benzoxazine-6-sulfonamide IUPAC Name: N-benzyl-2,2,4-trimethyl-7-nitro-3H-1,4-benzoxazine-6-sulfonamide Traditional Name: N-benzyl-2,2,4-trimethyl-7-nitro-3H-1,4-benzoxazine-6-sulfonamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=CC(=C(C=C2O1)[N+](=O)[O-])S(=O)(=O)NCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1(CN(C2=CC(=C(C=C2O1)[N+](=O)[O-])S(=O)(=O)NCC3=CC=CC=C3)C)C

InChI

InChI=1S/C18H21N3O5S/c1-18(2)12-20(3)14-10-17(15(21(22)23)9-16(14)26-18)27(24,25)19-11-13-7-5-4-6-8-13/h4-10,19H,11-12H2,1-3H3