6-chloranyl-4-methylsulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-chloranyl-4-methylsulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-chloro-4-methylsulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-chloro-4-methylsulfonyl-N-[1-[4-(1-pyrrolidinyl)phenyl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-chloro-4-methylsulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-chloro-4-mesyl-N-[1-(4-pyrrolidinophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CCCC2)NC(=O)C3CN(C4=C(O3)C=CC(=C4)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CCCC2)NC(=O)C3CN(C4=C(O3)C=CC(=C4)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H26ClN3O4S/c1-15(16-5-8-18(9-6-16)25-11-3-4-12-25)24-22(27)21-14-26(31(2,28)29)19-13-17(23)7-10-20(19)30-21/h5-10,13,15,21H,3-4,11-12,14H2,1-2H3,(H,24,27)