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

Systemtic Name: 6-tert-butyl-4-methylsulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-tert-butyl-4-methylsulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-tert-butyl-4-methylsulfonyl-N-[1-[4-(1-pyrrolidinyl)phenyl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-tert-butyl-4-methylsulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-tert-butyl-4-mesyl-N-[1-(4-pyrrolidinophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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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)C(C)(C)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4S/c1-18(19-8-11-21(12-9-19)28-14-6-7-15-28)27-25(30)24-17-29(34(5,31)32)22-16-20(26(2,3)4)10-13-23(22)33-24/h8-13,16,18,24H,6-7,14-15,17H2,1-5H3,(H,27,30)