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

Systemtic Name: (2S)-4-ethanoyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-acetyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-acetyl-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-acetyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-acetyl-N-(3-pyrrolidinosulfonylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(=O)N1C[C@H](OC2=CC=CC=C21)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O5S/c1-15(25)24-14-20(29-19-10-3-2-9-18(19)24)21(26)22-16-7-6-8-17(13-16)30(27,28)23-11-4-5-12-23/h2-3,6-10,13,20H,4-5,11-12,14H2,1H3,(H,22,26)/t20-/m0/s1