6-tert-butyl-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-tert-butyl-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-tert-butyl-N-[1-[4-(3-methyl-1-piperidyl)phenyl]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-tert-butyl-N-[1-[4-(3-methyl-1-piperidinyl)phenyl]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-tert-butyl-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-tert-butyl-4-mesyl-N-[1-[4-(3-methylpiperidino)phenyl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C28H39N3O4S MolecularWeight: 513.69196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=CC=C(C=C2)C(C)NC(=O)C3CN(C4=C(O3)C=CC(=C4)C(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1CCCN(C1)C2=CC=C(C=C2)C(C)NC(=O)C3CN(C4=C(O3)C=CC(=C4)C(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C28H39N3O4S/c1-19-8-7-15-30(17-19)23-12-9-21(10-13-23)20(2)29-27(32)26-18-31(36(6,33)34)24-16-22(28(3,4)5)11-14-25(24)35-26/h9-14,16,19-20,26H,7-8,15,17-18H2,1-6H3,(H,29,32)