N-[2-(cyclohexylcarbamoyl)phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[2-(cyclohexylcarbamoyl)phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[2-(cyclohexylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-[(cyclohexylamino)-oxomethyl]phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[2-(cyclohexylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[2-(cyclohexylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O5S/c33-28(30-22-13-5-2-6-14-22)23-15-7-8-16-24(23)31-29(34)27-19-32(25-17-9-10-18-26(25)37-27)38(35,36)20-21-11-3-1-4-12-21/h1,3-4,7-12,15-18,22,27H,2,5-6,13-14,19-20H2,(H,30,33)(H,31,34)