(2S)-4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-(4-pyrrolidinosulfonylbenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC(OC4=CC=CC=C43)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3C[C@H](OC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C20H21N3O5S/c21-19(24)18-13-23(16-5-1-2-6-17(16)28-18)20(25)14-7-9-15(10-8-14)29(26,27)22-11-3-4-12-22/h1-2,5-10,18H,3-4,11-13H2,(H2,21,24)/t18-/m0/s1