N-(3-methyl-1-phenyl-butyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-(3-methyl-1-phenyl-butyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-(3-methyl-1-phenyl-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-(3-methyl-1-phenylbutyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-(3-methyl-1-phenylbutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-(3-methyl-1-phenyl-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4S/c1-20(2)17-23(22-13-7-4-8-14-22)28-27(30)26-18-29(24-15-9-10-16-25(24)33-26)34(31,32)19-21-11-5-3-6-12-21/h3-16,20,23,26H,17-19H2,1-2H3,(H,28,30)