6-chloranyl-3-oxidanylidene-N-[1-(phenylmethyl)pyrrolidin-3-yl]-4H-1,4-benzoxazine-7-sulfonamide

Systemtic Name: 6-chloranyl-3-oxidanylidene-N-[1-(phenylmethyl)pyrrolidin-3-yl]-4H-1,4-benzoxazine-7-sulfonamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonamide CAS Name: 6-chloro-3-oxo-N-[1-(phenylmethyl)-3-pyrrolidinyl]-4H-1,4-benzoxazine-7-sulfonamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-6-chloro-3-keto-4H-1,4-benzoxazine-7-sulfonamide Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C19H20ClN3O4S/c20-15-8-16-17(27-12-19(24)21-16)9-18(15)28(25,26)22-14-6-7-23(11-14)10-13-4-2-1-3-5-13/h1-5,8-9,14,22H,6-7,10-12H2,(H,21,24)