4-(phenylsulfonyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-(phenylsulfonyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-(benzenesulfonyl)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-(benzenesulfonyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-besyl-N-(4-pyrrolidinobenzyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O4S/c30-26(27-18-20-12-14-21(15-13-20)28-16-6-7-17-28)25-19-29(23-10-4-5-11-24(23)33-25)34(31,32)22-8-2-1-3-9-22/h1-5,8-15,25H,6-7,16-19H2,(H,27,30)