6-methyl-4-methylsulfonyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-methyl-4-methylsulfonyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-methyl-4-methylsulfonyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-methyl-4-methylsulfonyl-N-[[3-(1-pyrrolidinylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-methyl-4-methylsulfonyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-mesyl-6-methyl-N-[3-(pyrrolidinomethyl)benzyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCC3=CC=CC(=C3)CN4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCC3=CC=CC(=C3)CN4CCCC4

InChI

InChI=1S/C23H29N3O4S/c1-17-8-9-21-20(12-17)26(31(2,28)29)16-22(30-21)23(27)24-14-18-6-5-7-19(13-18)15-25-10-3-4-11-25/h5-9,12-13,22H,3-4,10-11,14-16H2,1-2H3,(H,24,27)