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

Systemtic Name: 4-methylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-methylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-methylsulfonyl-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-methylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-mesyl-N-[4-(pyrrolidinomethyl)benzyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)CN4CCCC4

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)CN4CCCC4

InChI

InChI=1S/C22H27N3O4S/c1-30(27,28)25-16-21(29-20-7-3-2-6-19(20)25)22(26)23-14-17-8-10-18(11-9-17)15-24-12-4-5-13-24/h2-3,6-11,21H,4-5,12-16H2,1H3,(H,23,26)