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

Systemtic Name: 4-methylsulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-methylsulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-methylsulfonyl-N-[1-[4-(1-pyrrolidinyl)phenyl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-methylsulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-mesyl-N-[1-(4-pyrrolidinophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CCCC2)NC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CCCC2)NC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O4S/c1-16(17-9-11-18(12-10-17)24-13-5-6-14-24)23-22(26)21-15-25(30(2,27)28)19-7-3-4-8-20(19)29-21/h3-4,7-12,16,21H,5-6,13-15H2,1-2H3,(H,23,26)