N-[3-(3,4-dimethoxyphenyl)propyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)propyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[3-(3,4-dimethoxyphenyl)propyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[3-(3,4-dimethoxyphenyl)propyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[3-(3,4-dimethoxyphenyl)propyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[3-(3,4-dimethoxyphenyl)propyl]-4-mesyl-6-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N2O6S/c1-15-7-9-18-17(12-15)24(31(4,26)27)14-21(30-18)22(25)23-11-5-6-16-8-10-19(28-2)20(13-16)29-3/h7-10,12-13,21H,5-6,11,14H2,1-4H3,(H,23,25)