4-(2,2-diethoxyethyl)-3-[3-(2-methylbutan-2-ylsulfonyl)propyl]-2-phenyl-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 4-(2,2-diethoxyethyl)-3-[3-(2-methylbutan-2-ylsulfonyl)propyl]-2-phenyl-2,3-dihydro-1,4-benzoxazine Openeye Name: 4-(2,2-diethoxyethyl)-3-[3-(1,1-dimethylpropylsulfonyl)propyl]-2-phenyl-2,3-dihydro-1,4-benzoxazine CAS Name: 4-(2,2-diethoxyethyl)-3-[3-(2-methylbutan-2-ylsulfonyl)propyl]-2-phenyl-2,3-dihydro-1,4-benzoxazine IUPAC Name: 4-(2,2-diethoxyethyl)-3-[3-(2-methylbutan-2-ylsulfonyl)propyl]-2-phenyl-2,3-dihydro-1,4-benzoxazine Traditional Name: 3-(3-tert-amylsulfonylpropyl)-4-(2,2-diethoxyethyl)-2-phenyl-2,3-dihydro-1,4-benzoxazine Formula: C28H41NO5S MolecularWeight: 503.69384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)S(=O)(=O)CCCC1C(OC2=CC=CC=C2N1CC(OCC)OCC)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)S(=O)(=O)CCCC1C(OC2=CC=CC=C2N1CC(OCC)OCC)C3=CC=CC=C3

InChI

InChI=1S/C28H41NO5S/c1-6-28(4,5)35(30,31)20-14-18-24-27(22-15-10-9-11-16-22)34-25-19-13-12-17-23(25)29(24)21-26(32-7-2)33-8-3/h9-13,15-17,19,24,26-27H,6-8,14,18,20-21H2,1-5H3